2-(phenylsulfonyl)-2-(4-propan-2-ylphenyl)ethanenitrile

Systemtic Name: 2-(phenylsulfonyl)-2-(4-propan-2-ylphenyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-(4-isopropylphenyl)acetonitrile CAS Name: 2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-(4-propan-2-ylphenyl)acetonitrile Traditional Name: 2-besyl-2-p-cumenyl-acetonitrile Formula: C17H17NO2S MolecularWeight: 299.38738

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17NO2S/c1-13(2)14-8-10-15(11-9-14)17(12-18)21(19,20)16-6-4-3-5-7-16/h3-11,13,17H,1-2H3