[2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[2-(trifluoromethyl)phenyl]amino]ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-keto-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C21H21F3N2O6S MolecularWeight: 486.46145

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2C(F)(F)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H21F3N2O6S/c1-14-6-7-15(12-18(14)33(29,30)26-8-10-31-11-9-26)20(28)32-13-19(27)25-17-5-3-2-4-16(17)21(22,23)24/h2-7,12H,8-11,13H2,1H3,(H,25,27)