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

Systemtic Name: 4-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-[(4-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-3-(p-tolylsulfonylamino)benzoic acid CAS Name: 4-[4-(4-acetylphenyl)-1-piperazinyl]-3-[(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-3-[(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[4-(4-acetylphenyl)piperazino]-3-(tosylamino)benzoic acid Formula: C26H27N3O5S MolecularWeight: 493.57468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H27N3O5S/c1-18-3-10-23(11-4-18)35(33,34)27-24-17-21(26(31)32)7-12-25(24)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)