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

Systemtic Name: 4-[4-(4-ethanoylphenyl)piperazin-1-yl]-3-[(4-fluorophenyl)sulfonylamino]benzoic acid Openeye Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-3-[(4-fluorophenyl)sulfonylamino]benzoic acid CAS Name: 4-[4-(4-acetylphenyl)-1-piperazinyl]-3-[(4-fluorophenyl)sulfonylamino]benzoic acid IUPAC Name: 4-[4-(4-acetylphenyl)piperazin-1-yl]-3-[(4-fluorophenyl)sulfonylamino]benzoic acid Traditional Name: 4-[4-(4-acetylphenyl)piperazino]-3-[(4-fluorophenyl)sulfonylamino]benzoic acid Formula: C25H24FN3O5S MolecularWeight: 497.538563

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H24FN3O5S/c1-17(30)18-2-7-21(8-3-18)28-12-14-29(15-13-28)24-11-4-19(25(31)32)16-23(24)27-35(33,34)22-9-5-20(26)6-10-22/h2-11,16,27H,12-15H2,1H3,(H,31,32)