4-[(4-methylphenyl)methyl]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-[(4-methylphenyl)methyl]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 3-(3-methylpyrrolidin-1-yl)-4-(p-tolylmethyl)-5-sulfamoyl-benzoic acid CAS Name: 4-[(4-methylphenyl)methyl]-3-(3-methyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-[(4-methylphenyl)methyl]-3-(3-methylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-methylbenzyl)-3-(3-methylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C20H24N2O4S MolecularWeight: 388.48056

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=C(C=C3)C

Isomeric SMILES

CC1CCN(C1)C2=C(C(=CC(=C2)C(=O)O)S(=O)(=O)N)CC3=CC=C(C=C3)C

InChI

InChI=1S/C20H24N2O4S/c1-13-3-5-15(6-4-13)9-17-18(22-8-7-14(2)12-22)10-16(20(23)24)11-19(17)27(21,25)26/h3-6,10-11,14H,7-9,12H2,1-2H3,(H,23,24)(H2,21,25,26)