3-(4-butoxy-3-ethoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-(4-butoxy-3-ethoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(4-butoxy-3-ethoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(4-butoxy-3-ethoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(4-butoxy-3-ethoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)-2-tosyl-acrylonitrile Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C22H25NO4S/c1-4-6-13-27-21-12-9-18(15-22(21)26-5-2)14-20(16-23)28(24,25)19-10-7-17(3)8-11-19/h7-12,14-15H,4-6,13H2,1-3H3