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

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 4-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-pyrrolidinosulfonylbenzoic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C20H18F3NO5S MolecularWeight: 441.42083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3NO5S/c21-20(22,23)16-5-3-4-15(12-16)18(25)13-29-19(26)14-6-8-17(9-7-14)30(27,28)24-10-1-2-11-24/h3-9,12H,1-2,10-11,13H2