[2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-(trifluoromethyl)benzoate

Systemtic Name: [2-oxidanylidene-2-[(3-piperidin-1-ylsulfonylphenyl)amino]ethyl] 4-(trifluoromethyl)benzoate Openeye Name: [2-oxo-2-[3-(1-piperidylsulfonyl)anilino]ethyl] 4-(trifluoromethyl)benzoate CAS Name: 4-(trifluoromethyl)benzoic acid [2-oxo-2-[3-(1-piperidinylsulfonyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-(3-piperidin-1-ylsulfonylanilino)ethyl] 4-(trifluoromethyl)benzoate Traditional Name: 4-(trifluoromethyl)benzoic acid [2-keto-2-(3-piperidinosulfonylanilino)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)NC(=O)COC(=O)C3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

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