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

Systemtic Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid Openeye Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid CAS Name: 4-[4-(4-methoxyphenyl)-1-piperazinyl]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[4-(4-methoxyphenyl)piperazin-1-yl]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[4-(4-methoxyphenyl)piperazino]-3-[(4-methoxyphenyl)sulfonylamino]benzoic acid Formula: C25H27N3O6S MolecularWeight: 497.56338

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)OC

Isomeric SMILES

COC1=CC=C(C=C1)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)O)NS(=O)(=O)C4=CC=C(C=C4)OC

InChI

InChI=1S/C25H27N3O6S/c1-33-20-6-4-19(5-7-20)27-13-15-28(16-14-27)24-12-3-18(25(29)30)17-23(24)26-35(31,32)22-10-8-21(34-2)9-11-22/h3-12,17,26H,13-16H2,1-2H3,(H,29,30)