3-(2,5-dimethylpyrrolidin-1-yl)-4-[(4-methylphenyl)amino]-5-sulfamoyl-benzoic acid

Systemtic Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-[(4-methylphenyl)amino]-5-sulfamoyl-benzoic acid Openeye Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-methylanilino)-5-sulfamoyl-benzoic acid CAS Name: 3-(2,5-dimethyl-1-pyrrolidinyl)-4-(4-methylanilino)-5-sulfamoylbenzoic acid IUPAC Name: 3-(2,5-dimethylpyrrolidin-1-yl)-4-(4-methylanilino)-5-sulfamoylbenzoic acid Traditional Name: 3-(2,5-dimethylpyrrolidino)-4-(p-toluidino)-5-sulfamoyl-benzoic acid Formula: C20H25N3O4S MolecularWeight: 403.4952

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)NC3=CC=C(C=C3)C)C

Isomeric SMILES

CC1CCC(N1C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)NC3=CC=C(C=C3)C)C

InChI

InChI=1S/C20H25N3O4S/c1-12-4-8-16(9-5-12)22-19-17(23-13(2)6-7-14(23)3)10-15(20(24)25)11-18(19)28(21,26)27/h4-5,8-11,13-14,22H,6-7H2,1-3H3,(H,24,25)(H2,21,26,27)