(E)-2-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-1-cyano-N-(3-phenylpropyl)ethenesulfonamide

Systemtic Name: (E)-2-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-1-cyano-N-(3-phenylpropyl)ethenesulfonamide Openeye Name: (E)-2-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-1-cyano-N-(3-phenylpropyl)ethenesulfonamide CAS Name: (E)-2-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-1-cyano-N-(3-phenylpropyl)ethenesulfonamide IUPAC Name: (E)-2-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-1-cyano-N-(3-phenylpropyl)ethenesulfonamide Traditional Name: (E)-2-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-1-cyano-N-(3-phenylpropyl)ethenesulfonamide Formula: C22H25BrN2O3S MolecularWeight: 477.4145

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H25BrN2O3S/c1-22(2,3)19-13-17(14-20(23)21(19)26)12-18(15-24)29(27,28)25-11-7-10-16-8-5-4-6-9-16/h4-6,8-9,12-14,25-26H,7,10-11H2,1-3H3/b18-12+