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

Systemtic Name: [2-(dimethylamino)-2-oxidanylidene-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Openeye Name: [2-(dimethylamino)-2-oxo-ethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate CAS Name: 1-[2-(trifluoromethyl)phenyl]sulfonyl-4-piperidinecarboxylic acid [2-(dimethylamino)-2-oxoethyl] ester IUPAC Name: [2-(dimethylamino)-2-oxoethyl] 1-[2-(trifluoromethyl)phenyl]sulfonylpiperidine-4-carboxylate Traditional Name: 1-[2-(trifluoromethyl)phenyl]sulfonylisonipecotic acid [2-(dimethylamino)-2-keto-ethyl] ester Formula: C17H21F3N2O5S MolecularWeight: 422.41925

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21F3N2O5S/c1-21(2)15(23)11-27-16(24)12-7-9-22(10-8-12)28(25,26)14-6-4-3-5-13(14)17(18,19)20/h3-6,12H,7-11H2,1-2H3