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

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-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(=C2)C(=O)OCC(=O)C3=CC(=CC=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C21H20F3NO5S/c22-21(23,24)17-8-4-6-15(12-17)19(26)14-30-20(27)16-7-5-9-18(13-16)31(28,29)25-10-2-1-3-11-25/h4-9,12-13H,1-3,10-11,14H2