1-(3,4-dimethylphenyl)sulfonylcycloheptane-1-carbonitrile

Systemtic Name: 1-(3,4-dimethylphenyl)sulfonylcycloheptane-1-carbonitrile Openeye Name: 1-(3,4-dimethylphenyl)sulfonylcycloheptanecarbonitrile CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-1-cycloheptanecarbonitrile IUPAC Name: 1-(3,4-dimethylphenyl)sulfonylcycloheptane-1-carbonitrile Traditional Name: 1-(3,4-dimethylphenyl)sulfonylcycloheptanecarbonitrile Formula: C16H21NO2S MolecularWeight: 291.40844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCCCC2)C#N)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)C2(CCCCCC2)C#N)C

InChI

InChI=1S/C16H21NO2S/c1-13-7-8-15(11-14(13)2)20(18,19)16(12-17)9-5-3-4-6-10-16/h7-8,11H,3-6,9-10H2,1-2H3