7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-3,4-dihydro-2H-1-benzazepine-4-carbonitrile

Systemtic Name: 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-3,4-dihydro-2H-1-benzazepine-4-carbonitrile Openeye Name: 7,8-dimethoxy-5-oxo-1-(p-tolylsulfonyl)-3,4-dihydro-2H-1-benzazepine-4-carbonitrile CAS Name: 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-5-oxo-3,4-dihydro-2H-1-benzazepine-4-carbonitrile IUPAC Name: 7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-5-oxo-3,4-dihydro-2H-1-benzazepine-4-carbonitrile Traditional Name: 5-keto-7,8-dimethoxy-1-tosyl-3,4-dihydro-2H-1-benzazepine-4-carbonitrile Formula: C20H20N2O5S MolecularWeight: 400.4482

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(=O)C3=CC(=C(C=C32)OC)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(C(=O)C3=CC(=C(C=C32)OC)OC)C#N

InChI

InChI=1S/C20H20N2O5S/c1-13-4-6-15(7-5-13)28(24,25)22-9-8-14(12-21)20(23)16-10-18(26-2)19(27-3)11-17(16)22/h4-7,10-11,14H,8-9H2,1-3H3