[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C16H19F3N2O5S MolecularWeight: 408.39267

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F

InChI

InChI=1S/C16H19F3N2O5S/c1-27(24,25)21-8-6-11(7-9-21)15(23)26-10-14(22)20-13-5-3-2-4-12(13)16(17,18)19/h2-5,11H,6-10H2,1H3,(H,20,22)