5-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid

Systemtic Name: 5-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Openeye Name: 5-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid CAS Name: 5-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]sulfonyl]-3-thiophenecarboxylic acid IUPAC Name: 5-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-3-carboxylic acid Traditional Name: 5-[4-(4-acetyl-2-fluoro-phenyl)piperazino]sulfonyl-3-thenoic acid Formula: C17H17FN2O5S2 MolecularWeight: 412.455683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O)F

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=CS3)C(=O)O)F

InChI

InChI=1S/C17H17FN2O5S2/c1-11(21)12-2-3-15(14(18)8-12)19-4-6-20(7-5-19)27(24,25)16-9-13(10-26-16)17(22)23/h2-3,8-10H,4-7H2,1H3,(H,22,23)