5-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonyl-2-methyl-benzoic acid

Systemtic Name: 5-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonyl-2-methyl-benzoic acid Openeye Name: 5-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]sulfonyl-2-methyl-benzoic acid CAS Name: 5-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]sulfonyl]-2-methylbenzoic acid IUPAC Name: 5-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonyl-2-methylbenzoic acid Traditional Name: 5-[4-(4-acetyl-2-fluoro-phenyl)piperazino]sulfonyl-2-methyl-benzoic acid Formula: C20H21FN2O5S MolecularWeight: 420.454543

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)C(=O)O

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C3=C(C=C(C=C3)C(=O)C)F)C(=O)O

InChI

InChI=1S/C20H21FN2O5S/c1-13-3-5-16(12-17(13)20(25)26)29(27,28)23-9-7-22(8-10-23)19-6-4-15(14(2)24)11-18(19)21/h3-6,11-12H,7-10H2,1-2H3,(H,25,26)