3-(3-hexoxyphenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-(3-hexoxyphenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(3-hexoxyphenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(3-hexoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3-hexoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(3-hexoxyphenyl)-2-tosyl-acrylonitrile Formula: C22H25NO3S MolecularWeight: 383.5038

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=CC=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCCCCOC1=CC=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C22H25NO3S/c1-3-4-5-6-14-26-20-9-7-8-19(15-20)16-22(17-23)27(24,25)21-12-10-18(2)11-13-21/h7-13,15-16H,3-6,14H2,1-2H3