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

Systemtic Name: 3-(3-ethoxy-4-hexoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(3-ethoxy-4-hexoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(3-ethoxy-4-hexoxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(3-ethoxy-4-hexoxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(3-ethoxy-4-hexoxy-phenyl)acrylonitrile Formula: C23H27NO4S MolecularWeight: 413.52978

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C23H27NO4S/c1-3-5-6-10-15-28-22-14-13-19(17-23(22)27-4-2)16-21(18-24)29(25,26)20-11-8-7-9-12-20/h7-9,11-14,16-17H,3-6,10,15H2,1-2H3