4-[(4-methylphenyl)amino]-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-methylphenyl)amino]-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-methylanilino)-3-pyrrolidin-1-yl-5-sulfamoyl-benzoic acid CAS Name: 4-(4-methylanilino)-3-(1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-methylanilino)-3-pyrrolidin-1-yl-5-sulfamoylbenzoic acid Traditional Name: 4-(p-toluidino)-3-pyrrolidino-5-sulfamoyl-benzoic acid Formula: C18H21N3O4S MolecularWeight: 375.44204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCCC3

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCCC3

InChI

InChI=1S/C18H21N3O4S/c1-12-4-6-14(7-5-12)20-17-15(21-8-2-3-9-21)10-13(18(22)23)11-16(17)26(19,24)25/h4-7,10-11,20H,2-3,8-9H2,1H3,(H,22,23)(H2,19,24,25)