1-(4-methylphenyl)sulfonyl-2,5-dihydro-1-benzazepine-3-carbonitrile

Systemtic Name: 1-(4-methylphenyl)sulfonyl-2,5-dihydro-1-benzazepine-3-carbonitrile Openeye Name: 1-(p-tolylsulfonyl)-2,5-dihydro-1-benzazepine-3-carbonitrile CAS Name: 1-(4-methylphenyl)sulfonyl-2,5-dihydro-1-benzazepine-3-carbonitrile IUPAC Name: 1-(4-methylphenyl)sulfonyl-2,5-dihydro-1-benzazepine-3-carbonitrile Traditional Name: 1-tosyl-2,5-dihydro-1-benzazepine-3-carbonitrile Formula: C18H16N2O2S MolecularWeight: 324.39684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CCC3=CC=CC=C32)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CC(=CCC3=CC=CC=C32)C#N

InChI

InChI=1S/C18H16N2O2S/c1-14-6-10-17(11-7-14)23(21,22)20-13-15(12-19)8-9-16-4-2-3-5-18(16)20/h2-8,10-11H,9,13H2,1H3