2-(2,6-dimethylphenyl)-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: 2-(2,6-dimethylphenyl)-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-(2,6-dimethylphenyl)acetonitrile CAS Name: 2-(benzenesulfonyl)-2-(2,6-dimethylphenyl)acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-(2,6-dimethylphenyl)acetonitrile Traditional Name: 2-besyl-2-(2,6-dimethylphenyl)acetonitrile Formula: C16H15NO2S MolecularWeight: 285.3608

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15NO2S/c1-12-7-6-8-13(2)16(12)15(11-17)20(18,19)14-9-4-3-5-10-14/h3-10,15H,1-2H3