2-[4-(5-cyanohexan-3-yl)phenyl]sulfonylpropanedinitrile

Systemtic Name: 2-[4-(5-cyanohexan-3-yl)phenyl]sulfonylpropanedinitrile Openeye Name: 2-[4-(3-cyano-1-ethyl-butyl)phenyl]sulfonylpropanedinitrile CAS Name: 2-[4-(5-cyanohexan-3-yl)phenyl]sulfonylpropanedinitrile IUPAC Name: 2-[4-(5-cyanohexan-3-yl)phenyl]sulfonylpropanedinitrile Traditional Name: 2-[4-(3-cyano-1-ethyl-butyl)phenyl]sulfonylmalononitrile Formula: C16H17N3O2S MolecularWeight: 315.39008

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17N3O2S/c1-3-13(8-12(2)9-17)14-4-6-15(7-5-14)22(20,21)16(10-18)11-19/h4-7,12-13,16H,3,8H2,1-2H3