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

Systemtic Name: 7,8-dimethoxy-4-methyl-1-(4-methylphenyl)sulfonyl-5-oxidanylidene-2,3-dihydro-1-benzazepine-4-carbonitrile Openeye Name: 7,8-dimethoxy-4-methyl-5-oxo-1-(p-tolylsulfonyl)-2,3-dihydro-1-benzazepine-4-carbonitrile CAS Name: 7,8-dimethoxy-4-methyl-1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1-benzazepine-4-carbonitrile IUPAC Name: 7,8-dimethoxy-4-methyl-1-(4-methylphenyl)sulfonyl-5-oxo-2,3-dihydro-1-benzazepine-4-carbonitrile Traditional Name: 5-keto-7,8-dimethoxy-4-methyl-1-tosyl-2,3-dihydro-1-benzazepine-4-carbonitrile Formula: C21H22N2O5S MolecularWeight: 414.47478

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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)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O5S/c1-14-5-7-15(8-6-14)29(25,26)23-10-9-21(2,13-22)20(24)16-11-18(27-3)19(28-4)12-17(16)23/h5-8,11-12H,9-10H2,1-4H3