3-[4-[(3,5-dimethylphenyl)methoxy]-3-ethoxy-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-[4-[(3,5-dimethylphenyl)methoxy]-3-ethoxy-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[4-[(3,5-dimethylphenyl)methoxy]-3-ethoxy-phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[4-[(3,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[4-[(3,5-dimethylphenyl)methoxy]-3-ethoxyphenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[4-(3,5-dimethylbenzyl)oxy-3-ethoxy-phenyl]-2-tosyl-acrylonitrile Formula: C27H27NO4S MolecularWeight: 461.57258

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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)OCC3=CC(=CC(=C3)C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OCC3=CC(=CC(=C3)C)C

InChI

InChI=1S/C27H27NO4S/c1-5-31-27-16-22(8-11-26(27)32-18-23-13-20(3)12-21(4)14-23)15-25(17-28)33(29,30)24-9-6-19(2)7-10-24/h6-16H,5,18H2,1-4H3