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Organic sulfonic acids and derivatives

Organic compounds that consist of sulfonic acid with organic functional group substitutions; includes compounds that are derived from organic sulfonic acids.

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2

H-7 dihydrochloride, Thermo Scientific Chemicals

CAS: 108930-17-2 Molecular Formula: C14H19Cl2N3O2S Molecular Weight (g/mol): 364.285 MDL Number: MFCD00036961 InChI Key: OARGPFMFRLLKPF-UHFFFAOYSA-N Synonym: h-7 dihydrochloride,h-7, dihydrochloride,1-5-isoquinolinylsulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine, 2hcl,1-5-isoquinoline-sulfonyl-2-methylpiperazine,5-2-methylpiperazin-1-ylsulfonyl isoquinoline dihydrochloride,isoquinoline-5-sulfonic 2-methyl-1-piperazide dihydrochloride,1-5-isoquinolylsulfonyl-2-methylpiperazine, chloride, chloride,1-5-isoquinolinesulfonyl-2-methyl-piperazine dihydrochloride PubChem CID: 73332 ChEBI: CHEBI:82739 IUPAC Name: 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride SMILES: CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl

PubChem CID 73332
CAS 108930-17-2
Molecular Weight (g/mol) 364.285
ChEBI CHEBI:82739
MDL Number MFCD00036961
SMILES CC1CNCCN1S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl
Synonym h-7 dihydrochloride,h-7, dihydrochloride,1-5-isoquinolinylsulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine dihydrochloride,1-5-isoquinolinesulfonyl-2-methylpiperazine, 2hcl,1-5-isoquinoline-sulfonyl-2-methylpiperazine,5-2-methylpiperazin-1-ylsulfonyl isoquinoline dihydrochloride,isoquinoline-5-sulfonic 2-methyl-1-piperazide dihydrochloride,1-5-isoquinolylsulfonyl-2-methylpiperazine, chloride, chloride,1-5-isoquinolinesulfonyl-2-methyl-piperazine dihydrochloride
IUPAC Name 5-(2-methylpiperazin-1-yl)sulfonylisoquinoline;dihydrochloride
InChI Key OARGPFMFRLLKPF-UHFFFAOYSA-N
Molecular Formula C14H19Cl2N3O2S
3

Fasudil dihydrochloride, 99+%

CAS: 203911-27-7 Molecular Formula: C14H19Cl2N3O2S Molecular Weight (g/mol): 364.285 MDL Number: MFCD00153805 InChI Key: NOXXIYDYFSNHDF-UHFFFAOYSA-N PubChem CID: 16219471 IUPAC Name: 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;dihydrochloride SMILES: C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl

PubChem CID 16219471
CAS 203911-27-7
Molecular Weight (g/mol) 364.285
MDL Number MFCD00153805
SMILES C1CNCCN(C1)S(=O)(=O)C2=CC=CC3=C2C=CN=C3.Cl.Cl
IUPAC Name 5-(1,4-diazepan-1-ylsulfonyl)isoquinoline;dihydrochloride
InChI Key NOXXIYDYFSNHDF-UHFFFAOYSA-N
Molecular Formula C14H19Cl2N3O2S
4

MES Monohydrate, ≥98.5% (Dry Basis), Ultrapure

CAS: 145224-94-8 Molecular Formula: C6H15NO5S Molecular Weight (g/mol): 213.248 MDL Number: MFCD00149409 InChI Key: MIIIXQJBDGSIKL-UHFFFAOYSA-N Synonym: mes monohydrate,2-morpholinoethanesulfonic acid hydrate,mes hydrate,mes buffer hydrate,4-morpholineethanesulfonic acid monohydrate,4-morpholineethanesulfonic acid, monohydrate,2-4-morpholinyl ethanesulfonic acid hydrate,mes hydrate buffer,4-morpholineethanesulfonicacid, hydrate 1:1,mesmonohydrate PubChem CID: 16218417 IUPAC Name: 2-morpholin-4-ylethanesulfonic acid;hydrate SMILES: C1COCCN1CCS(=O)(=O)O.O

PubChem CID 16218417
CAS 145224-94-8
Molecular Weight (g/mol) 213.248
MDL Number MFCD00149409
SMILES C1COCCN1CCS(=O)(=O)O.O
Synonym mes monohydrate,2-morpholinoethanesulfonic acid hydrate,mes hydrate,mes buffer hydrate,4-morpholineethanesulfonic acid monohydrate,4-morpholineethanesulfonic acid, monohydrate,2-4-morpholinyl ethanesulfonic acid hydrate,mes hydrate buffer,4-morpholineethanesulfonicacid, hydrate 1:1,mesmonohydrate
IUPAC Name 2-morpholin-4-ylethanesulfonic acid;hydrate
InChI Key MIIIXQJBDGSIKL-UHFFFAOYSA-N
Molecular Formula C6H15NO5S
5

KN-62

CAS: 127191-97-3 Molecular Formula: C38H35N5O6S2 Molecular Weight (g/mol): 721.85 MDL Number: MFCD00083180 InChI Key: RJVLFQBBRSMWHX-UHFFFAOYNA-N Synonym: s-4-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,unii-63hm46xpow,chembl28324,63hm46xpow,1-n,o-bis 5-isoquinolinesulfonyl-n-methyl-l-tyrosyl-4-phenylpiperazine,s-5-isoquinolinesulfonic acid 4-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester,4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl isoquinolinesulfonic acid ester,4-2s-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,5-isoquinolinesulfonic acid, 4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester PubChem CID: 5312126 IUPAC Name: [4-[(2S)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate SMILES: CN(C(CC1=CC=C(OS(=O)(=O)C2=C3C=CN=CC3=CC=C2)C=C1)C(=O)N1CCN(CC1)C1=CC=CC=C1)S(=O)(=O)C1=C2C=CN=CC2=CC=C1

PubChem CID 5312126
CAS 127191-97-3
Molecular Weight (g/mol) 721.85
MDL Number MFCD00083180
SMILES CN(C(CC1=CC=C(OS(=O)(=O)C2=C3C=CN=CC3=CC=C2)C=C1)C(=O)N1CCN(CC1)C1=CC=CC=C1)S(=O)(=O)C1=C2C=CN=CC2=CC=C1
Synonym s-4-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,unii-63hm46xpow,chembl28324,63hm46xpow,1-n,o-bis 5-isoquinolinesulfonyl-n-methyl-l-tyrosyl-4-phenylpiperazine,s-5-isoquinolinesulfonic acid 4-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester,4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl isoquinolinesulfonic acid ester,4-2s-2-n-methylisoquinoline-5-sulfonamido-3-oxo-3-4-phenylpiperazin-1-yl propyl phenyl isoquinoline-5-sulfonate,5-isoquinolinesulfonic acid, 4-2s-2-5-isoquinolinylsulfonyl methylamino-3-oxo-3-4-phenyl-1-piperazinyl propyl phenyl ester
IUPAC Name [4-[(2S)-2-[isoquinolin-5-ylsulfonyl(methyl)amino]-3-oxo-3-(4-phenylpiperazin-1-yl)propyl]phenyl] isoquinoline-5-sulfonate
InChI Key RJVLFQBBRSMWHX-UHFFFAOYNA-N
Molecular Formula C38H35N5O6S2
6

Hafnium trifluoromethanesulfonate, 98%

CAS: 161337-67-3 Molecular Formula: C4H2F12HfO13S4 Molecular Weight (g/mol): 792.758 MDL Number: MFCD01321255 InChI Key: XQJOFTWVKHJLHA-UHFFFAOYSA-J Synonym: hafnium iv trifluoromethanesulfonate hydrate,hafnium tetrakis trifluoromethanesulfonate , hydrate PubChem CID: 71433309 IUPAC Name: hafnium(4+);trifluoromethanesulfonate;hydrate SMILES: C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.[Hf+4]

PubChem CID 71433309
CAS 161337-67-3
Molecular Weight (g/mol) 792.758
MDL Number MFCD01321255
SMILES C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].C(F)(F)(F)S(=O)(=O)[O-].O.[Hf+4]
Synonym hafnium iv trifluoromethanesulfonate hydrate,hafnium tetrakis trifluoromethanesulfonate , hydrate
IUPAC Name hafnium(4+);trifluoromethanesulfonate;hydrate
InChI Key XQJOFTWVKHJLHA-UHFFFAOYSA-J
Molecular Formula C4H2F12HfO13S4
7

Cerium(IV) trifluoromethanesulfonate, 98%

CAS: 107792-63-2 Molecular Formula: C4CeF12O12S4 Molecular Weight (g/mol): 736.37 MDL Number: MFCD03844746 InChI Key: BYAJTISDHIASIP-UHFFFAOYSA-J Synonym: cerium iv trifluoromethanesulfonate,cerium iv triflate,cerium trifluoromethanesulfonate,acmc-20alhh,ceric triflate,cerium iv trifluoromethanesulphonate,cerium iv trifluoromethanesulfonate, ?ce cf3so3 4,trifluoromethanesulfonic acid, cerium iv salt,methanesulfonic acid,1,1,1-trifluoro-,cerium 4+ salt 4:1 PubChem CID: 9875257 IUPAC Name: cerium(4+);trifluoromethanesulfonate SMILES: [Ce+4].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F

PubChem CID 9875257
CAS 107792-63-2
Molecular Weight (g/mol) 736.37
MDL Number MFCD03844746
SMILES [Ce+4].[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F.[O-]S(=O)(=O)C(F)(F)F
Synonym cerium iv trifluoromethanesulfonate,cerium iv triflate,cerium trifluoromethanesulfonate,acmc-20alhh,ceric triflate,cerium iv trifluoromethanesulphonate,cerium iv trifluoromethanesulfonate, ?ce cf3so3 4,trifluoromethanesulfonic acid, cerium iv salt,methanesulfonic acid,1,1,1-trifluoro-,cerium 4+ salt 4:1
IUPAC Name cerium(4+);trifluoromethanesulfonate
InChI Key BYAJTISDHIASIP-UHFFFAOYSA-J
Molecular Formula C4CeF12O12S4