2-(4-tert-butylphenyl)-2-(phenylsulfonyl)ethanenitrile

Systemtic Name: 2-(4-tert-butylphenyl)-2-(phenylsulfonyl)ethanenitrile Openeye Name: 2-(benzenesulfonyl)-2-(4-tert-butylphenyl)acetonitrile CAS Name: 2-(benzenesulfonyl)-2-(4-tert-butylphenyl)acetonitrile IUPAC Name: 2-(benzenesulfonyl)-2-(4-tert-butylphenyl)acetonitrile Traditional Name: 2-besyl-2-(4-tert-butylphenyl)acetonitrile Formula: C18H19NO2S MolecularWeight: 313.41396

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO2S/c1-18(2,3)15-11-9-14(10-12-15)17(13-19)22(20,21)16-7-5-4-6-8-16/h4-12,17H,1-3H3