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

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

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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=C4OC

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=C(C=CC(=C2)C(=O)O)N3CCN(CC3)C4=CC=CC=C4OC

InChI

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