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

Systemtic Name: 3-(3-ethoxy-4-phenethyloxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(3-ethoxy-4-phenethyloxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(3-ethoxy-4-phenethyloxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3-ethoxy-4-phenethyloxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(3-ethoxy-4-phenethyloxy-phenyl)-2-tosyl-acrylonitrile Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OCCC3=CC=CC=C3

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OCCC3=CC=CC=C3

InChI

InChI=1S/C26H25NO4S/c1-3-30-26-18-22(11-14-25(26)31-16-15-21-7-5-4-6-8-21)17-24(19-27)32(28,29)23-12-9-20(2)10-13-23/h4-14,17-18H,3,15-16H2,1-2H3