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

Systemtic Name: 4-[4-(2,3-dimethylphenyl)piperazin-1-yl]-3-(phenylsulfonylamino)benzoic acid Openeye Name: 3-(benzenesulfonamido)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid CAS Name: 3-(benzenesulfonamido)-4-[4-(2,3-dimethylphenyl)-1-piperazinyl]benzoic acid IUPAC Name: 3-(benzenesulfonamido)-4-[4-(2,3-dimethylphenyl)piperazin-1-yl]benzoic acid Traditional Name: 3-(benzenesulfonamido)-4-[4-(2,3-dimethylphenyl)piperazino]benzoic acid Formula: C25H27N3O4S MolecularWeight: 465.56458

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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=C4)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=C4)C

InChI

InChI=1S/C25H27N3O4S/c1-18-7-6-10-23(19(18)2)27-13-15-28(16-14-27)24-12-11-20(25(29)30)17-22(24)26-33(31,32)21-8-4-3-5-9-21/h3-12,17,26H,13-16H2,1-2H3,(H,29,30)