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

Systemtic Name: methyl 2-(4-methylphenyl)sulfonyl-3-oxidanylidene-4,5-dihydro-1H-2-benzazepine-1-carboxylate Openeye Name: methyl 3-oxo-2-(p-tolylsulfonyl)-4,5-dihydro-1H-2-benzazepine-1-carboxylate CAS Name: 2-(4-methylphenyl)sulfonyl-3-oxo-4,5-dihydro-1H-2-benzazepine-1-carboxylic acid methyl ester IUPAC Name: methyl 2-(4-methylphenyl)sulfonyl-3-oxo-4,5-dihydro-1H-2-benzazepine-1-carboxylate Traditional Name: 3-keto-2-tosyl-4,5-dihydro-1H-2-benzazepine-1-carboxylic acid methyl ester Formula: C19H19NO5S MolecularWeight: 373.42286

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(C3=CC=CC=C3CCC2=O)C(=O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(C3=CC=CC=C3CCC2=O)C(=O)OC

InChI

InChI=1S/C19H19NO5S/c1-13-7-10-15(11-8-13)26(23,24)20-17(21)12-9-14-5-3-4-6-16(14)18(20)19(22)25-2/h3-8,10-11,18H,9,12H2,1-2H3