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

Systemtic Name: 3-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(3-ethoxy-4-isopropoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3-ethoxy-4-propan-2-yloxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(3-ethoxy-4-isopropoxy-phenyl)-2-tosyl-acrylonitrile Formula: C21H23NO4S MolecularWeight: 385.47662

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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)OC(C)C

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO4S/c1-5-25-21-13-17(8-11-20(21)26-15(2)3)12-19(14-22)27(23,24)18-9-6-16(4)7-10-18/h6-13,15H,5H2,1-4H3