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

Systemtic Name: 3-[2-[(3,5-dimethylphenyl)methoxy]-3-methoxy-phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-[2-[(3,5-dimethylphenyl)methoxy]-3-methoxy-phenyl]-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-[2-[(3,5-dimethylphenyl)methoxy]-3-methoxyphenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-[2-[(3,5-dimethylphenyl)methoxy]-3-methoxyphenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-[2-(3,5-dimethylbenzyl)oxy-3-methoxy-phenyl]-2-tosyl-acrylonitrile Formula: C26H25NO4S MolecularWeight: 447.546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(C(=CC=C2)OC)OCC3=CC(=CC(=C3)C)C)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC2=C(C(=CC=C2)OC)OCC3=CC(=CC(=C3)C)C)C#N

InChI

InChI=1S/C26H25NO4S/c1-18-8-10-23(11-9-18)32(28,29)24(16-27)15-22-6-5-7-25(30-4)26(22)31-17-21-13-19(2)12-20(3)14-21/h5-15H,17H2,1-4H3