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

Systemtic Name: [2-oxidanylidene-2-[3-(trifluoromethyl)phenyl]ethyl] 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)phenyl]ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid [2-keto-2-[3-(trifluoromethyl)phenyl]ethyl] ester Formula: C21H20F3NO6S MolecularWeight: 471.44681

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)C2=CC(=CC=C2)C(F)(F)F)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C21H20F3NO6S/c1-14-5-6-16(12-19(14)32(28,29)25-7-9-30-10-8-25)20(27)31-13-18(26)15-3-2-4-17(11-15)21(22,23)24/h2-6,11-12H,7-10,13H2,1H3