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

Systemtic Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3-butoxy-4-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-butoxy-4-methoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-butoxy-4-methoxy-phenyl)-2-tosyl-acrylonitrile Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCCOC1=C(C=CC(=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)C)OC

InChI

InChI=1S/C21H23NO4S/c1-4-5-12-26-21-14-17(8-11-20(21)25-3)13-19(15-22)27(23,24)18-9-6-16(2)7-10-18/h6-11,13-14H,4-5,12H2,1-3H3/b19-13+