3,5,7-trimethyl-1-(4-methylphenyl)sulfonyl-azepine-2-carbonitrile

Systemtic Name: 3,5,7-trimethyl-1-(4-methylphenyl)sulfonyl-azepine-2-carbonitrile Openeye Name: 3,5,7-trimethyl-1-(p-tolylsulfonyl)azepine-2-carbonitrile CAS Name: 3,5,7-trimethyl-1-(4-methylphenyl)sulfonyl-2-azepinecarbonitrile IUPAC Name: 3,5,7-trimethyl-1-(4-methylphenyl)sulfonylazepine-2-carbonitrile Traditional Name: 3,5,7-trimethyl-1-tosyl-azepine-2-carbonitrile Formula: C17H18N2O2S MolecularWeight: 314.40202

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=CC(=C2C#N)C)C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2C(=CC(=CC(=C2C#N)C)C)C

InChI

InChI=1S/C17H18N2O2S/c1-12-5-7-16(8-6-12)22(20,21)19-15(4)10-13(2)9-14(3)17(19)11-18/h5-10H,1-4H3