4-[(E)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-hept-1-enyl]benzenecarbonitrile

Systemtic Name: 4-[(E)-1-(4-methylphenyl)sulfonyl-2-prop-2-enyl-hept-1-enyl]benzenecarbonitrile Openeye Name: 4-[(E)-2-allyl-1-(p-tolylsulfonyl)hept-1-enyl]benzonitrile CAS Name: 4-[(E)-1-(4-methylphenyl)sulfonyl-2-prop-2-enylhept-1-enyl]benzonitrile IUPAC Name: 4-[(E)-1-(4-methylphenyl)sulfonyl-2-prop-2-enylhept-1-enyl]benzonitrile Traditional Name: 4-[(1E)-2-amyl-1-tosyl-penta-1,4-dienyl]benzonitrile Formula: C24H27NO2S MolecularWeight: 393.54168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H27NO2S/c1-4-6-7-9-21(8-5-2)24(22-14-12-20(18-25)13-15-22)28(26,27)23-16-10-19(3)11-17-23/h5,10-17H,2,4,6-9H2,1,3H3/b24-21-