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

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 4-chloranyl-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-chloro-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-chloro-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-chloro-3-pyrrolidinosulfonyl-benzoic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C20H18ClF3N2O5S MolecularWeight: 490.88053

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F)Cl

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC(=O)NC3=CC=CC=C3C(F)(F)F)Cl

InChI

InChI=1S/C20H18ClF3N2O5S/c21-15-8-7-13(11-17(15)32(29,30)26-9-3-4-10-26)19(28)31-12-18(27)25-16-6-2-1-5-14(16)20(22,23)24/h1-2,5-8,11H,3-4,9-10,12H2,(H,25,27)