[(2R)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[3-(trifluoromethyl)phenyl]amino]propan-2-yl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[3-(trifluoromethyl)anilino]propan-2-yl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [(1R)-2-keto-1-methyl-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C19H18F3NO5S MolecularWeight: 429.41013

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)OC(C)C(=O)NC2=CC=CC(=C2)C(F)(F)F

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C)C(=O)O[C@H](C)C(=O)NC2=CC=CC(=C2)C(F)(F)F

InChI

InChI=1S/C19H18F3NO5S/c1-11-7-8-15(29(3,26)27)10-16(11)18(25)28-12(2)17(24)23-14-6-4-5-13(9-14)19(20,21)22/h4-10,12H,1-3H3,(H,23,24)/t12-/m1/s1