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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19NO2S/c1-3-14(2)15-9-11-16(12-10-15)18(13-19)22(20,21)17-7-5-4-6-8-17/h4-12,14,18H,3H2,1-2H3