(E)-3-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(3-chloranyl-5-ethoxy-4-propoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-ethoxy-4-propoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-chloro-5-ethoxy-4-propoxy-phenyl)-2-tosyl-acrylonitrile Formula: C21H22ClNO4S MolecularWeight: 419.92168

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1Cl)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OCC

Isomeric SMILES

CCCOC1=C(C=C(C=C1Cl)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)C)OCC

InChI

InChI=1S/C21H22ClNO4S/c1-4-10-27-21-19(22)12-16(13-20(21)26-5-2)11-18(14-23)28(24,25)17-8-6-15(3)7-9-17/h6-9,11-13H,4-5,10H2,1-3H3/b18-11+