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

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-(o-tolylsulfonylamino)benzoic acid CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(2-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-3-(o-tolylsulfonylamino)benzoic acid Formula: C25H27N3O5S MolecularWeight: 481.56398

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27N3O5S/c1-18-5-3-4-6-24(18)34(31,32)26-22-17-19(25(29)30)7-12-23(22)28-15-13-27(14-16-28)20-8-10-21(33-2)11-9-20/h3-12,17,26H,13-16H2,1-2H3,(H,29,30)