2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-[(4-methylphenyl)sulfonylamino]benzoic acid

Systemtic Name: 2-[4-(4-ethanoylphenyl)piperazin-1-yl]-5-[(4-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-(p-tolylsulfonylamino)benzoic acid CAS Name: 2-[4-(4-acetylphenyl)-1-piperazinyl]-5-[(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 2-[4-(4-acetylphenyl)piperazin-1-yl]-5-[(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 2-[4-(4-acetylphenyl)piperazino]-5-(tosylamino)benzoic acid Formula: C26H27N3O5S MolecularWeight: 493.57468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O5S/c1-18-3-10-23(11-4-18)35(33,34)27-21-7-12-25(24(17-21)26(31)32)29-15-13-28(14-16-29)22-8-5-20(6-9-22)19(2)30/h3-12,17,27H,13-16H2,1-2H3,(H,31,32)