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

Systemtic Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(4-methylphenyl)sulfonylamino]benzoic acid Openeye Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-(p-tolylsulfonylamino)benzoic acid CAS Name: 4-[4-(4-fluorophenyl)-1-piperazinyl]-3-[(4-methylphenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[4-(4-fluorophenyl)piperazin-1-yl]-3-[(4-methylphenyl)sulfonylamino]benzoic acid Traditional Name: 4-[4-(4-fluorophenyl)piperazino]-3-(tosylamino)benzoic acid Formula: C24H24FN3O4S MolecularWeight: 469.528463

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)F

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)F

InChI

InChI=1S/C24H24FN3O4S/c1-17-2-9-21(10-3-17)33(31,32)26-22-16-18(24(29)30)4-11-23(22)28-14-12-27(13-15-28)20-7-5-19(25)6-8-20/h2-11,16,26H,12-15H2,1H3,(H,29,30)