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

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C20H20F3N3O5S MolecularWeight: 471.45011

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C20H20F3N3O5S/c21-20(22,23)16-5-1-2-6-17(16)25-18(27)13-31-19(28)14-7-10-26(11-8-14)32(29,30)15-4-3-9-24-12-15/h1-6,9,12,14H,7-8,10-11,13H2,(H,25,27)