[2-[2-(2-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-[2-(2-fluorophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-[2-(2-fluorobenzoyl)hydrazino]-2-oxo-ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-[[(2-fluorophenyl)-oxomethyl]hydrazo]-2-oxoethyl] ester IUPAC Name: [2-[2-(2-fluorobenzoyl)hydrazinyl]-2-oxoethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-[N'-(2-fluorobenzoyl)hydrazino]-2-keto-ethyl] ester Formula: C16H20FN3O6S MolecularWeight: 401.409903

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NNC(=O)C2=CC=CC=C2F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NNC(=O)C2=CC=CC=C2F

InChI

InChI=1S/C16H20FN3O6S/c1-27(24,25)20-8-6-11(7-9-20)16(23)26-10-14(21)18-19-15(22)12-4-2-3-5-13(12)17/h2-5,11H,6-10H2,1H3,(H,18,21)(H,19,22)