[2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-methyl-5-methylsulfonyl-benzoate

Systemtic Name: [2-oxidanylidene-2-[[3-(trifluoromethyl)phenyl]amino]ethyl] 2-methyl-5-methylsulfonyl-benzoate Openeye Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-methyl-5-methylsulfonyl-benzoate CAS Name: 2-methyl-5-methylsulfonylbenzoic acid [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[3-(trifluoromethyl)anilino]ethyl] 2-methyl-5-methylsulfonylbenzoate Traditional Name: 5-mesyl-2-methyl-benzoic acid [2-keto-2-[3-(trifluoromethyl)anilino]ethyl] ester Formula: C18H16F3NO5S MolecularWeight: 415.38355

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16F3NO5S/c1-11-6-7-14(28(2,25)26)9-15(11)17(24)27-10-16(23)22-13-5-3-4-12(8-13)18(19,20)21/h3-9H,10H2,1-2H3,(H,22,23)