(E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: (E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(3-ethoxy-4-isobutoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[3-ethoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(3-ethoxy-4-isobutoxy-phenyl)-2-tosyl-acrylonitrile Formula: C22H25NO4S MolecularWeight: 399.5032

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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)OCC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/S(=O)(=O)C2=CC=C(C=C2)C)OCC(C)C

InChI

InChI=1S/C22H25NO4S/c1-5-26-22-13-18(8-11-21(22)27-15-16(2)3)12-20(14-23)28(24,25)19-9-6-17(4)7-10-19/h6-13,16H,5,15H2,1-4H3/b20-12+