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

Systemtic Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: (E)-3-(4-isobutoxy-3-methoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: (E)-3-[3-methoxy-4-(2-methylpropoxy)phenyl]-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: (E)-3-(4-isobutoxy-3-methoxy-phenyl)-2-tosyl-acrylonitrile Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)/C(=C/C2=CC(=C(C=C2)OCC(C)C)OC)/C#N

InChI

InChI=1S/C21H23NO4S/c1-15(2)14-26-20-10-7-17(12-21(20)25-4)11-19(13-22)27(23,24)18-8-5-16(3)6-9-18/h5-12,15H,14H2,1-4H3/b19-11+