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

Systemtic Name: 3-(3-methoxy-4-phenethyloxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(3-methoxy-4-phenethyloxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(3-methoxy-4-phenethyloxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3-methoxy-4-phenethyloxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(3-methoxy-4-phenethyloxy-phenyl)-2-tosyl-acrylonitrile Formula: C25H23NO4S MolecularWeight: 433.51942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=CC(=C(C=C2)OCCC3=CC=CC=C3)OC)C#N

InChI

InChI=1S/C25H23NO4S/c1-19-8-11-22(12-9-19)31(27,28)23(18-26)16-21-10-13-24(25(17-21)29-2)30-15-14-20-6-4-3-5-7-20/h3-13,16-17H,14-15H2,1-2H3