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

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid [2-keto-2-[3-(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(=C2)C(F)(F)F)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)OCC(=O)NC2=CC=CC(=C2)C(F)(F)F)S(=O)(=O)C3=CN=CC=C3

InChI

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