[2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 2-chloranyl-5-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 2-chloro-5-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-chloro-5-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 2-chloro-5-pyrrolidinosulfonyl-benzoic acid [2-keto-2-[4-(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=CC(=C(C=C2)Cl)C(=O)OCC(=O)NC3=CC=C(C=C3)C(F)(F)F

Isomeric SMILES

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

InChI

InChI=1S/C20H18ClF3N2O5S/c21-17-8-7-15(32(29,30)26-9-1-2-10-26)11-16(17)19(28)31-12-18(27)25-14-5-3-13(4-6-14)20(22,23)24/h3-8,11H,1-2,9-10,12H2,(H,25,27)