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

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

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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)OCC

Isomeric SMILES

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

InChI

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