2-(4-methylsulfonylphenyl)-2-(pyridin-3-ylmethyl)hexanenitrile

Systemtic Name: 2-(4-methylsulfonylphenyl)-2-(pyridin-3-ylmethyl)hexanenitrile Openeye Name: 2-(4-methylsulfonylphenyl)-2-(3-pyridylmethyl)hexanenitrile CAS Name: 2-(4-methylsulfonylphenyl)-2-(3-pyridinylmethyl)hexanenitrile IUPAC Name: 2-(4-methylsulfonylphenyl)-2-(pyridin-3-ylmethyl)hexanenitrile Traditional Name: 2-(4-mesylphenyl)-2-(3-pyridylmethyl)hexanenitrile Formula: C19H22N2O2S MolecularWeight: 342.45518

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC(CC1=CN=CC=C1)(C#N)C2=CC=C(C=C2)S(=O)(=O)C

Isomeric SMILES

CCCCC(CC1=CN=CC=C1)(C#N)C2=CC=C(C=C2)S(=O)(=O)C

InChI

InChI=1S/C19H22N2O2S/c1-3-4-11-19(15-20,13-16-6-5-12-21-14-16)17-7-9-18(10-8-17)24(2,22)23/h5-10,12,14H,3-4,11,13H2,1-2H3