[(2R)-1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-methylsulfonylbenzoate

Systemtic Name: [(2R)-1-oxidanylidene-1-[[2-(trifluoromethyl)phenyl]amino]propan-2-yl] 4-methylsulfonylbenzoate Openeye Name: [(1R)-1-methyl-2-oxo-2-[2-(trifluoromethyl)anilino]ethyl] 4-methylsulfonylbenzoate CAS Name: 4-methylsulfonylbenzoic acid [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] ester IUPAC Name: [(2R)-1-oxo-1-[2-(trifluoromethyl)anilino]propan-2-yl] 4-methylsulfonylbenzoate Traditional Name: 4-mesylbenzoic acid [(1R)-2-keto-1-methyl-2-[2-(trifluoromethyl)anilino]ethyl] ester Formula: C18H16F3NO5S MolecularWeight: 415.38355

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1C(F)(F)F)OC(=O)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C18H16F3NO5S/c1-11(16(23)22-15-6-4-3-5-14(15)18(19,20)21)27-17(24)12-7-9-13(10-8-12)28(2,25)26/h3-11H,1-2H3,(H,22,23)/t11-/m1/s1