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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC1=C(C=CC=C1OC)C=C(C#N)S(=O)(=O)C2=CC=CC=C2

Isomeric SMILES

CCCCCCOC1=C(C=CC=C1OC)C=C(C#N)S(=O)(=O)C2=CC=CC=C2

InChI

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