2-(azepan-1-yl)-6-(3,5-dimethylphenyl)sulfonyl-benzenecarbonitrile

Systemtic Name: 2-(azepan-1-yl)-6-(3,5-dimethylphenyl)sulfonyl-benzenecarbonitrile Openeye Name: 2-(azepan-1-yl)-6-(3,5-dimethylphenyl)sulfonyl-benzonitrile CAS Name: 2-(1-azepanyl)-6-(3,5-dimethylphenyl)sulfonylbenzonitrile IUPAC Name: 2-(azepan-1-yl)-6-(3,5-dimethylphenyl)sulfonylbenzonitrile Traditional Name: 2-(azepan-1-yl)-6-(3,5-dimethylphenyl)sulfonyl-benzonitrile Formula: C21H24N2O2S MolecularWeight: 368.49246

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2C#N)N3CCCCCC3)C

Isomeric SMILES

CC1=CC(=CC(=C1)S(=O)(=O)C2=CC=CC(=C2C#N)N3CCCCCC3)C

InChI

InChI=1S/C21H24N2O2S/c1-16-12-17(2)14-18(13-16)26(24,25)21-9-7-8-20(19(21)15-22)23-10-5-3-4-6-11-23/h7-9,12-14H,3-6,10-11H2,1-2H3