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

Systemtic Name: [1-oxidanylidene-1-[[4-(trifluoromethyl)phenyl]amino]propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Openeye Name: [1-methyl-2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 3-pyrrolidin-1-ylsulfonylbenzoate CAS Name: 3-(1-pyrrolidinylsulfonyl)benzoic acid [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [1-oxo-1-[4-(trifluoromethyl)anilino]propan-2-yl] 3-pyrrolidin-1-ylsulfonylbenzoate Traditional Name: 3-pyrrolidinosulfonylbenzoic acid [2-keto-1-methyl-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

Isomeric SMILES

CC(C(=O)NC1=CC=C(C=C1)C(F)(F)F)OC(=O)C2=CC(=CC=C2)S(=O)(=O)N3CCCC3

InChI

InChI=1S/C21H21F3N2O5S/c1-14(19(27)25-17-9-7-16(8-10-17)21(22,23)24)31-20(28)15-5-4-6-18(13-15)32(29,30)26-11-2-3-12-26/h4-10,13-14H,2-3,11-12H2,1H3,(H,25,27)