4-(4-methylphenoxy)-3-(3-phenylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid

Systemtic Name: 4-(4-methylphenoxy)-3-(3-phenylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid Openeye Name: 4-(4-methylphenoxy)-3-(3-phenylpyrrolidin-1-yl)-5-sulfamoyl-benzoic acid CAS Name: 4-(4-methylphenoxy)-3-(3-phenyl-1-pyrrolidinyl)-5-sulfamoylbenzoic acid IUPAC Name: 4-(4-methylphenoxy)-3-(3-phenylpyrrolidin-1-yl)-5-sulfamoylbenzoic acid Traditional Name: 4-(4-methylphenoxy)-3-(3-phenylpyrrolidino)-5-sulfamoyl-benzoic acid Formula: C24H24N2O5S MolecularWeight: 452.52276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCC(C3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)OC2=C(C=C(C=C2S(=O)(=O)N)C(=O)O)N3CCC(C3)C4=CC=CC=C4

InChI

InChI=1S/C24H24N2O5S/c1-16-7-9-20(10-8-16)31-23-21(13-19(24(27)28)14-22(23)32(25,29)30)26-12-11-18(15-26)17-5-3-2-4-6-17/h2-10,13-14,18H,11-12,15H2,1H3,(H,27,28)(H2,25,29,30)