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

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonyl-benzoate CAS Name: 4-methoxy-3-(1-pyrrolidinylsulfonyl)benzoic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 4-methoxy-3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 4-methoxy-3-pyrrolidinosulfonyl-benzoic acid [2-keto-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C21H21F3N2O6S MolecularWeight: 486.46145

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)N3CCCC3

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=C(C=C2)C(F)(F)F)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H21F3N2O6S/c1-31-17-9-4-14(12-18(17)33(29,30)26-10-2-3-11-26)20(28)32-13-19(27)25-16-7-5-15(6-8-16)21(22,23)24/h4-9,12H,2-3,10-11,13H2,1H3,(H,25,27)