[2-(methylamino)-2-oxidanylidene-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate

Systemtic Name: [2-(methylamino)-2-oxidanylidene-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [2-(methylamino)-2-oxo-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-(methylamino)-2-oxoethyl] ester IUPAC Name: [2-(methylamino)-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid [2-keto-2-(methylamino)ethyl] ester Formula: C16H19F3N2O5S MolecularWeight: 408.39267

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

Isomeric SMILES

CNC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(F)(F)F

InChI

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