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

Systemtic Name: [2-oxidanylidene-2-[[4-(trifluoromethyl)phenyl]amino]ethyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Openeye Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate CAS Name: 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] ester IUPAC Name: [2-oxo-2-[4-(trifluoromethyl)anilino]ethyl] 2-ethylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxylate Traditional Name: 2-esyl-3,4-dihydro-1H-isoquinoline-3-carboxylic acid [2-keto-2-[4-(trifluoromethyl)anilino]ethyl] ester Formula: C21H21F3N2O5S MolecularWeight: 470.46205

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21F3N2O5S/c1-2-32(29,30)26-12-15-6-4-3-5-14(15)11-18(26)20(28)31-13-19(27)25-17-9-7-16(8-10-17)21(22,23)24/h3-10,18H,2,11-13H2,1H3,(H,25,27)