2-[7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]propanedinitrile

Systemtic Name: 2-[7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]propanedinitrile Openeye Name: 2-[7,8-dimethoxy-1-(p-tolylsulfonyl)-3,4-dihydro-2H-1-benzazepin-5-ylidene]propanedinitrile CAS Name: 2-[7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]propanedinitrile IUPAC Name: 2-[7,8-dimethoxy-1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-1-benzazepin-5-ylidene]propanedinitrile Traditional Name: 2-(7,8-dimethoxy-1-tosyl-3,4-dihydro-2H-1-benzazepin-5-ylidene)malononitrile Formula: C22H21N3O4S MolecularWeight: 423.48484

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=C(C#N)C#N)C3=CC(=C(C=C32)OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC(=C(C#N)C#N)C3=CC(=C(C=C32)OC)OC

InChI

InChI=1S/C22H21N3O4S/c1-15-6-8-17(9-7-15)30(26,27)25-10-4-5-18(16(13-23)14-24)19-11-21(28-2)22(29-3)12-20(19)25/h6-9,11-12H,4-5,10H2,1-3H3