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

Systemtic Name: 3-(3-ethoxy-4-phenylmethoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(4-benzyloxy-3-ethoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(3-ethoxy-4-phenylmethoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3-ethoxy-4-phenylmethoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(4-benzoxy-3-ethoxy-phenyl)-2-tosyl-acrylonitrile Formula: C25H23NO4S MolecularWeight: 433.51942

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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

Isomeric SMILES

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

InChI

InChI=1S/C25H23NO4S/c1-3-29-25-16-21(11-14-24(25)30-18-20-7-5-4-6-8-20)15-23(17-26)31(27,28)22-12-9-19(2)10-13-22/h4-16H,3,18H2,1-2H3