2-(3-methylphenyl)-2-(phenylsulfonyl)hexanenitrile

Systemtic Name: 2-(3-methylphenyl)-2-(phenylsulfonyl)hexanenitrile Openeye Name: 2-(benzenesulfonyl)-2-(m-tolyl)hexanenitrile CAS Name: 2-(benzenesulfonyl)-2-(3-methylphenyl)hexanenitrile IUPAC Name: 2-(benzenesulfonyl)-2-(3-methylphenyl)hexanenitrile Traditional Name: 2-besyl-2-(m-tolyl)hexanenitrile Formula: C19H21NO2S MolecularWeight: 327.44054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21NO2S/c1-3-4-13-19(15-20,17-10-8-9-16(2)14-17)23(21,22)18-11-6-5-7-12-18/h5-12,14H,3-4,13H2,1-2H3