[2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 2-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 2-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 2-(1-piperidylsulfonyl)benzoate CAS Name: 2-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 2-piperidin-1-ylsulfonylbenzoate Traditional Name: 2-piperidinosulfonylbenzoic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C21H20F3NO5S MolecularWeight: 455.44741

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC=C2C(=O)OCC(=O)C3=CC(=CC=C3)C(F)(F)F

InChI

InChI=1S/C21H20F3NO5S/c22-21(23,24)16-8-6-7-15(13-16)18(26)14-30-20(27)17-9-2-3-10-19(17)31(28,29)25-11-4-1-5-12-25/h2-3,6-10,13H,1,4-5,11-12,14H2