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

Systemtic Name: (E)-2-(3-bromanyl-5-tert-butyl-4-oxidanyl-phenyl)-1-cyano-N-(phenylmethyl)ethenesulfonamide Openeye Name: (E)-N-benzyl-2-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-1-cyano-ethenesulfonamide CAS Name: (E)-2-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-1-cyano-N-(phenylmethyl)ethenesulfonamide IUPAC Name: (E)-N-benzyl-2-(3-bromo-5-tert-butyl-4-hydroxyphenyl)-1-cyanoethenesulfonamide Traditional Name: (E)-N-benzyl-2-(3-bromo-5-tert-butyl-4-hydroxy-phenyl)-1-cyano-ethenesulfonamide Formula: C20H21BrN2O3S MolecularWeight: 449.36134

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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)NCC2=CC=CC=C2)Br)O

Isomeric SMILES

CC(C)(C)C1=C(C(=CC(=C1)/C=C(\C#N)/S(=O)(=O)NCC2=CC=CC=C2)Br)O

InChI

InChI=1S/C20H21BrN2O3S/c1-20(2,3)17-10-15(11-18(21)19(17)24)9-16(12-22)27(25,26)23-13-14-7-5-4-6-8-14/h4-11,23-24H,13H2,1-3H3/b16-9+