2-azanyl-8,9-dimethoxy-6-(4-methylphenyl)sulfonyl-4,5-dihydrothieno[2,3-d][1]benzazepine-1-carbonitrile

Systemtic Name: 2-azanyl-8,9-dimethoxy-6-(4-methylphenyl)sulfonyl-4,5-dihydrothieno[2,3-d][1]benzazepine-1-carbonitrile Openeye Name: 2-amino-8,9-dimethoxy-6-(p-tolylsulfonyl)-4,5-dihydrothieno[2,3-d][1]benzazepine-1-carbonitrile CAS Name: 2-amino-8,9-dimethoxy-6-(4-methylphenyl)sulfonyl-4,5-dihydrothieno[2,3-d][1]benzazepine-1-carbonitrile IUPAC Name: 2-amino-8,9-dimethoxy-6-(4-methylphenyl)sulfonyl-4,5-dihydrothieno[2,3-d][1]benzazepine-1-carbonitrile Traditional Name: 2-amino-8,9-dimethoxy-6-tosyl-4,5-dihydrothieno[2,3-d][1]benzazepine-1-carbonitrile Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C4=CC(=C(C=C42)OC)OC)C(=C(S3)N)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC3=C(C4=CC(=C(C=C42)OC)OC)C(=C(S3)N)C#N

InChI

InChI=1S/C22H21N3O4S2/c1-13-4-6-14(7-5-13)31(26,27)25-9-8-20-21(16(12-23)22(24)30-20)15-10-18(28-2)19(29-3)11-17(15)25/h4-7,10-11H,8-9,24H2,1-3H3