[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 3-piperidin-1-ylsulfonylbenzoate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 3-piperidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-(1-piperidylsulfonyl)benzoate CAS Name: 3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-piperidin-1-ylsulfonylbenzoate Traditional Name: 3-piperidinosulfonylbenzoic acid [2-keto-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C21H21F3N2O5S/c22-21(23,24)16-7-9-17(10-8-16)25-19(27)14-31-20(28)15-5-4-6-18(13-15)32(29,30)26-11-2-1-3-12-26/h4-10,13H,1-3,11-12,14H2,(H,25,27)