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

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C20H19F3N2O5S MolecularWeight: 456.43547

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F

InChI

InChI=1S/C20H19F3N2O5S/c21-20(22,23)15-6-8-16(9-7-15)24-18(26)13-30-19(27)14-4-3-5-17(12-14)31(28,29)25-10-1-2-11-25/h3-9,12H,1-2,10-11,13H2,(H,24,26)