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

Systemtic Name: (E)-3-(3-chloranyl-5-methoxy-4-propoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-(3-chloro-5-methoxy-4-propoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-chloro-5-methoxy-4-propoxy-phenyl)-2-tosyl-acrylonitrile Formula: C20H20ClNO4S MolecularWeight: 405.8951

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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)OC

Isomeric SMILES

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

InChI

InChI=1S/C20H20ClNO4S/c1-4-9-26-20-18(21)11-15(12-19(20)25-3)10-17(13-22)27(23,24)16-7-5-14(2)6-8-16/h5-8,10-12H,4,9H2,1-3H3/b17-10+