[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C20H19F3N2O5S MolecularWeight: 456.43547

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)C2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)C2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H19F3N2O5S/c21-20(22,23)16-4-1-3-15(11-16)18(26)13-30-19(27)14-6-9-25(10-7-14)31(28,29)17-5-2-8-24-12-17/h1-5,8,11-12,14H,6-7,9-10,13H2