4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(o-tolylsulfonylamino)benzoic acid CAS Name: 4-[4-(2,3-dimethylphenyl)-1-piperazinyl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[4-(2,3-dimethylphenyl)piperazino]-3-(o-tolylsulfonylamino)benzoic acid Formula: C26H29N3O4S MolecularWeight: 479.59116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC=C4C)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=CC=C4C)C

InChI

InChI=1S/C26H29N3O4S/c1-18-8-6-9-23(20(18)3)28-13-15-29(16-14-28)24-12-11-21(26(30)31)17-22(24)27-34(32,33)25-10-5-4-7-19(25)2/h4-12,17,27H,13-16H2,1-3H3,(H,30,31)