ethyl 8-methoxy-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-3,4-dihydro-2H-1-benzazepine-4-carboxylate

Systemtic Name: ethyl 8-methoxy-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-3,4-dihydro-2H-1-benzazepine-4-carboxylate Openeye Name: ethyl 8-methoxy-5-oxo-1-(p-tolylsulfonyl)-3,4-dihydro-2H-1-benzazepine-4-carboxylate CAS Name: 8-methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-3,4-dihydro-2H-1-benzazepine-4-carboxylic acid ethyl ester IUPAC Name: ethyl 8-methoxy-1-(4-methylphenyl)sulfonyl-5-oxo-3,4-dihydro-2H-1-benzazepine-4-carboxylate Traditional Name: 5-keto-8-methoxy-1-tosyl-3,4-dihydro-2H-1-benzazepine-4-carboxylic acid ethyl ester Formula: C21H23NO6S MolecularWeight: 417.47542

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO6S/c1-4-28-21(24)18-11-12-22(29(25,26)16-8-5-14(2)6-9-16)19-13-15(27-3)7-10-17(19)20(18)23/h5-10,13,18H,4,11-12H2,1-3H3