4-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(3-methylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 4-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(3-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-[4-(4-chlorophenyl)piperazin-1-yl]-3-(m-tolylsulfonylamino)benzoic acid CAS Name: 4-[4-(4-chlorophenyl)-1-piperazinyl]-3-[(3-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[4-(4-chlorophenyl)piperazin-1-yl]-3-[(3-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[4-(4-chlorophenyl)piperazino]-3-(m-tolylsulfonylamino)benzoic acid Formula: C24H24ClN3O4S MolecularWeight: 485.98306

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)Cl

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C24H24ClN3O4S/c1-17-3-2-4-21(15-17)33(31,32)26-22-16-18(24(29)30)5-10-23(22)28-13-11-27(12-14-28)20-8-6-19(25)7-9-20/h2-10,15-16,26H,11-14H2,1H3,(H,29,30)