3-(3-methoxy-4-pentoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile

Systemtic Name: 3-(3-methoxy-4-pentoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(3-methoxy-4-pentoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(3-methoxy-4-pentoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(3-methoxy-4-pentoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(4-amoxy-3-methoxy-phenyl)-2-tosyl-acrylonitrile Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OC

Isomeric SMILES

CCCCCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=C(C=C2)C)OC

InChI

InChI=1S/C22H25NO4S/c1-4-5-6-13-27-21-12-9-18(15-22(21)26-3)14-20(16-23)28(24,25)19-10-7-17(2)8-11-19/h7-12,14-15H,4-6,13H2,1-3H3