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

Systemtic Name: 3-(3-ethoxy-4-pentoxy-phenyl)-2-(phenylsulfonyl)prop-2-enenitrile Openeye Name: 2-(benzenesulfonyl)-3-(3-ethoxy-4-pentoxy-phenyl)prop-2-enenitrile CAS Name: 2-(benzenesulfonyl)-3-(3-ethoxy-4-pentoxyphenyl)-2-propenenitrile IUPAC Name: 2-(benzenesulfonyl)-3-(3-ethoxy-4-pentoxyphenyl)prop-2-enenitrile Traditional Name: 3-(4-amoxy-3-ethoxy-phenyl)-2-besyl-acrylonitrile Formula: C22H25NO4S MolecularWeight: 399.5032

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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=CC=C2)OCC

Isomeric SMILES

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

InChI

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