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

Systemtic Name: 3-(2-hexoxy-3-methoxy-phenyl)-2-(4-methylphenyl)sulfonyl-prop-2-enenitrile Openeye Name: 3-(2-hexoxy-3-methoxy-phenyl)-2-(p-tolylsulfonyl)prop-2-enenitrile CAS Name: 3-(2-hexoxy-3-methoxyphenyl)-2-(4-methylphenyl)sulfonyl-2-propenenitrile IUPAC Name: 3-(2-hexoxy-3-methoxyphenyl)-2-(4-methylphenyl)sulfonylprop-2-enenitrile Traditional Name: 3-(2-hexoxy-3-methoxy-phenyl)-2-tosyl-acrylonitrile Formula: C23H27NO4S MolecularWeight: 413.52978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4S/c1-4-5-6-7-15-28-23-19(9-8-10-22(23)27-3)16-21(17-24)29(25,26)20-13-11-18(2)12-14-20/h8-14,16H,4-7,15H2,1-3H3