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

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid [2-keto-2-[4-(trifluoromethoxy)anilino]ethyl] ester Formula: C16H19F3N2O6S MolecularWeight: 424.39207

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C(=O)OCC(=O)NC2=CC=C(C=C2)OC(F)(F)F

InChI

InChI=1S/C16H19F3N2O6S/c1-28(24,25)21-8-6-11(7-9-21)15(23)26-10-14(22)20-12-2-4-13(5-3-12)27-16(17,18)19/h2-5,11H,6-10H2,1H3,(H,20,22)