[2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyloxy)phenyl]amino]ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethoxy)anilino]ethyl] 2-methylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-mesyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-keto-2-[4-(trifluoromethoxy)anilino]ethyl] ester Formula: C20H19F3N2O6S MolecularWeight: 472.43487

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)(F)F

Isomeric SMILES

CS(=O)(=O)N1CC2=CC=CC=C2CC1C(=O)OCC(=O)NC3=CC=C(C=C3)OC(F)(F)F

InChI

InChI=1S/C20H19F3N2O6S/c1-32(28,29)25-11-14-5-3-2-4-13(14)10-17(25)19(27)30-12-18(26)24-15-6-8-16(9-7-15)31-20(21,22)23/h2-9,17H,10-12H2,1H3,(H,24,26)