[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 4-fluoranyl-3-piperidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-fluoro-3-(1-piperidylsulfonyl)benzoate CAS Name: 4-fluoro-3-(1-piperidinylsulfonyl)benzoic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-fluoro-3-piperidin-1-ylsulfonylbenzoate Traditional Name: 4-fluoro-3-piperidinosulfonyl-benzoic acid [2-keto-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C21H20F4N2O5S MolecularWeight: 488.452513

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H20F4N2O5S/c22-17-9-4-14(12-18(17)33(30,31)27-10-2-1-3-11-27)20(29)32-13-19(28)26-16-7-5-15(6-8-16)21(23,24)25/h4-9,12H,1-3,10-11,13H2,(H,26,28)