(E)-1-cyano-2-(3-ethoxy-4-oxidanyl-phenyl)-N-(3-phenylpropyl)ethenesulfonamide

Systemtic Name: (E)-1-cyano-2-(3-ethoxy-4-oxidanyl-phenyl)-N-(3-phenylpropyl)ethenesulfonamide Openeye Name: (E)-1-cyano-2-(3-ethoxy-4-hydroxy-phenyl)-N-(3-phenylpropyl)ethenesulfonamide CAS Name: (E)-1-cyano-2-(3-ethoxy-4-hydroxyphenyl)-N-(3-phenylpropyl)ethenesulfonamide IUPAC Name: (E)-1-cyano-2-(3-ethoxy-4-hydroxyphenyl)-N-(3-phenylpropyl)ethenesulfonamide Traditional Name: (E)-1-cyano-2-(3-ethoxy-4-hydroxy-phenyl)-N-(3-phenylpropyl)ethenesulfonamide Formula: C20H22N2O4S MolecularWeight: 386.46468

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C#N)S(=O)(=O)NCCCC2=CC=CC=C2)O

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C#N)/S(=O)(=O)NCCCC2=CC=CC=C2)O

InChI

InChI=1S/C20H22N2O4S/c1-2-26-20-14-17(10-11-19(20)23)13-18(15-21)27(24,25)22-12-6-9-16-7-4-3-5-8-16/h3-5,7-8,10-11,13-14,22-23H,2,6,9,12H2,1H3/b18-13+