4-(4-methylphenyl)sulfanyl-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-methylphenyl)sulfanyl-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 3-(3-methylpyrrolidin-1-yl)-4-(p-tolylsulfanyl)-5-sulfamoyl-benzoic acid CAS Name: 4-[(4-methylphenyl)thio]-3-(3-methyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-methylphenyl)sulfanyl-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 3-(3-methylpyrrolidino)-4-(p-tolylthio)-5-sulfamoyl-benzoic acid Formula: C19H22N2O4S2 MolecularWeight: 406.51898

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)SC3=CC=C(C=C3)C

Isomeric SMILES

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)SC3=CC=C(C=C3)C

InChI

InChI=1S/C19H22N2O4S2/c1-12-3-5-15(6-4-12)26-18-16(21-8-7-13(2)11-21)9-14(19(22)23)10-17(18)27(20,24)25/h3-6,9-10,13H,7-8,11H2,1-2H3,(H,22,23)(H2,20,24,25)