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

Systemtic Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-(m-tolylsulfonylamino)benzoic acid CAS Name: 4-[4-(3-chlorophenyl)-1-piperazinyl]-3-[(3-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[4-(3-chlorophenyl)piperazin-1-yl]-3-[(3-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[4-(3-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(=CC=C4)Cl

Isomeric SMILES

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

InChI

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