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

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

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCCC3

Isomeric SMILES

CN(C1=CC=CC=C1)C2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCCC3

InChI

InChI=1S/C18H21N3O4S/c1-20(14-7-3-2-4-8-14)17-15(21-9-5-6-10-21)11-13(18(22)23)12-16(17)26(19,24)25/h2-4,7-8,11-12H,5-6,9-10H2,1H3,(H,22,23)(H2,19,24,25)