3-(4-hexoxy-3-methoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile

Systemtic Name: 3-(4-hexoxy-3-methoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(4-hexoxy-3-methoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(4-hexoxy-3-methoxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(4-hexoxy-3-methoxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(4-hexoxy-3-methoxy-phenyl)acrylonitrile Formula: C22H25NO4S MolecularWeight: 399.5032

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC

Isomeric SMILES

CCCCCCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OC

InChI

InChI=1S/C22H25NO4S/c1-3-4-5-9-14-27-21-13-12-18(16-22(21)26-2)15-20(17-23)28(24,25)19-10-7-6-8-11-19/h6-8,10-13,15-16H,3-5,9,14H2,1-2H3