methyl 3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate

Systemtic Name: methyl 3-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Openeye Name: methyl 3-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate CAS Name: 3-[[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]sulfonyl]-2-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 3-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]sulfonylthiophene-2-carboxylate Traditional Name: 3-[4-(4-acetyl-2-fluoro-phenyl)piperazino]sulfonylthiophene-2-carboxylic acid methyl ester Formula: C18H19FN2O5S2 MolecularWeight: 426.482263

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=C(SC=C3)C(=O)OC)F

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN2O5S2/c1-12(22)13-3-4-15(14(19)11-13)20-6-8-21(9-7-20)28(24,25)16-5-10-27-17(16)18(23)26-2/h3-5,10-11H,6-9H2,1-2H3