ethyl 1-(4-methylphenyl)sulfonyl-5-oxidanylidene-7-(trifluoromethyloxy)-3,4-dihydro-2H-1-benzazepine-4-carboxylate

Systemtic Name: ethyl 1-(4-methylphenyl)sulfonyl-5-oxidanylidene-7-(trifluoromethyloxy)-3,4-dihydro-2H-1-benzazepine-4-carboxylate Openeye Name: ethyl 5-oxo-1-(p-tolylsulfonyl)-7-(trifluoromethoxy)-3,4-dihydro-2H-1-benzazepine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-5-oxo-7-(trifluoromethoxy)-3,4-dihydro-2H-1-benzazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 1-(4-methylphenyl)sulfonyl-5-oxo-7-(trifluoromethoxy)-3,4-dihydro-2H-1-benzazepine-4-carboxylate Traditional Name: 5-keto-1-tosyl-7-(trifluoromethoxy)-3,4-dihydro-2H-1-benzazepine-4-carboxylic acid ethyl ester Formula: C21H20F3NO6S MolecularWeight: 471.44681

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1CCN(C2=C(C1=O)C=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1CCN(C2=C(C1=O)C=C(C=C2)OC(F)(F)F)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H20F3NO6S/c1-3-30-20(27)16-10-11-25(32(28,29)15-7-4-13(2)5-8-15)18-9-6-14(31-21(22,23)24)12-17(18)19(16)26/h4-9,12,16H,3,10-11H2,1-2H3