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

Systemtic Name: 3-(4-butoxy-3-ethoxy-phenyl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(4-butoxy-3-ethoxy-phenyl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile CAS Name: 3-(4-butoxy-3-ethoxyphenyl)-2-(4-chlorophenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(4-butoxy-3-ethoxyphenyl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(4-butoxy-3-ethoxy-phenyl)-2-(4-chlorophenyl)sulfonyl-acrylonitrile Formula: C21H22ClNO4S MolecularWeight: 419.92168

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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)Cl)OCC

Isomeric SMILES

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

InChI

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