4-[(8-oxidanyl-8-oxidanylidene-2-pyridin-3-yl-octyl)sulfamoyl]benzoic acid hydrochloride

Systemtic Name: 4-[(8-oxidanyl-8-oxidanylidene-2-pyridin-3-yl-octyl)sulfamoyl]benzoic acid hydrochloride Openeye Name: 4-[[8-hydroxy-8-oxo-2-(3-pyridyl)octyl]sulfamoyl]benzoic acid hydrochloride CAS Name: 4-[[8-hydroxy-8-oxo-2-(3-pyridinyl)octyl]sulfamoyl]benzoic acid hydrochloride IUPAC Name: 4-[(8-hydroxy-8-oxo-2-pyridin-3-yloctyl)sulfamoyl]benzoic acid hydrochloride Traditional Name: 4-[[8-hydroxy-8-keto-2-(3-pyridyl)octyl]sulfamoyl]benzoic acid hydrochloride Formula: C20H25ClN2O6S MolecularWeight: 456.9403

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C(CCCCCC(=O)O)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O.Cl

Isomeric SMILES

C1=CC(=CN=C1)C(CCCCCC(=O)O)CNS(=O)(=O)C2=CC=C(C=C2)C(=O)O.Cl

InChI

InChI=1S/C20H24N2O6S.ClH/c23-19(24)7-3-1-2-5-17(16-6-4-12-21-13-16)14-22-29(27,28)18-10-8-15(9-11-18)20(25)26;/h4,6,8-13,17,22H,1-3,5,7,14H2,(H,23,24)(H,25,26);1H