3,3,4-trimethyl-2-(4-methylphenyl)sulfonyl-pentanenitrile

Systemtic Name: 3,3,4-trimethyl-2-(4-methylphenyl)sulfonyl-pentanenitrile Openeye Name: 3,3,4-trimethyl-2-(p-tolylsulfonyl)pentanenitrile CAS Name: 3,3,4-trimethyl-2-(4-methylphenyl)sulfonylpentanenitrile IUPAC Name: 3,3,4-trimethyl-2-(4-methylphenyl)sulfonylpentanenitrile Traditional Name: 3,3,4-trimethyl-2-tosyl-valeronitrile Formula: C15H21NO2S MolecularWeight: 279.39774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2S/c1-11(2)15(4,5)14(10-16)19(17,18)13-8-6-12(3)7-9-13/h6-9,11,14H,1-5H3