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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25NO4S/c1-16(2)11-12-27-21-10-7-18(14-22(21)26-4)13-20(15-23)28(24,25)19-8-5-17(3)6-9-19/h5-10,13-14,16H,11-12H2,1-4H3/b20-13+