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

Systemtic Name: 3-(4-butoxy-3-ethoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(4-butoxy-3-ethoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(4-butoxy-3-ethoxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(4-butoxy-3-ethoxyphenyl)prop-2-enenitrile Traditional Name: 2-besyl-3-(4-butoxy-3-ethoxy-phenyl)acrylonitrile Formula: C21H23NO4S MolecularWeight: 385.47662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OCC

Isomeric SMILES

CCCCOC1=C(C=C(C=C1)C=C(C#N)S(=O)(=O)C2=CC=CC=C2)OCC

InChI

InChI=1S/C21H23NO4S/c1-3-5-13-26-20-12-11-17(15-21(20)25-4-2)14-19(16-22)27(23,24)18-9-7-6-8-10-18/h6-12,14-15H,3-5,13H2,1-2H3