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

Systemtic Name: 3,3,4-trimethyl-4-(4-methylphenyl)sulfonyl-pentanenitrile Openeye Name: 3,3,4-trimethyl-4-(p-tolylsulfonyl)pentanenitrile CAS Name: 3,3,4-trimethyl-4-(4-methylphenyl)sulfonylpentanenitrile IUPAC Name: 3,3,4-trimethyl-4-(4-methylphenyl)sulfonylpentanenitrile Traditional Name: 3,3,4-trimethyl-4-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)(C)C(C)(C)CC#N

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO2S/c1-12-6-8-13(9-7-12)19(17,18)15(4,5)14(2,3)10-11-16/h6-9H,10H2,1-5H3