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

Systemtic Name: 3-(4-butoxy-3-methoxy-phenyl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(4-butoxy-3-methoxy-phenyl)-2-(4-chlorophenyl)sulfonyl-prop-2-enenitrile CAS Name: 3-(4-butoxy-3-methoxyphenyl)-2-(4-chlorophenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(4-butoxy-3-methoxyphenyl)-2-(4-chlorophenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(4-butoxy-3-methoxy-phenyl)-2-(4-chlorophenyl)sulfonyl-acrylonitrile Formula: C20H20ClNO4S MolecularWeight: 405.8951

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO4S/c1-3-4-11-26-19-10-5-15(13-20(19)25-2)12-18(14-22)27(23,24)17-8-6-16(21)7-9-17/h5-10,12-13H,3-4,11H2,1-2H3