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

Systemtic Name: 3-(3-methoxy-2-propoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(3-methoxy-2-propoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(3-methoxy-2-propoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3-methoxy-2-propoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(3-methoxy-2-propoxy-phenyl)-2-tosyl-acrylonitrile Formula: C20H21NO4S MolecularWeight: 371.45004

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=CC=C1OC)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCCOC1=C(C=CC=C1OC)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C20H21NO4S/c1-4-12-25-20-16(6-5-7-19(20)24-3)13-18(14-21)26(22,23)17-10-8-15(2)9-11-17/h5-11,13H,4,12H2,1-3H3