(E)-2-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-1-cyano-N-(phenylmethyl)ethenesulfonamide

Systemtic Name: (E)-2-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-1-cyano-N-(phenylmethyl)ethenesulfonamide Openeye Name: (E)-N-benzyl-2-(3-bromo-4,5-dihydroxy-phenyl)-1-cyano-ethenesulfonamide CAS Name: (E)-2-(3-bromo-4,5-dihydroxyphenyl)-1-cyano-N-(phenylmethyl)ethenesulfonamide IUPAC Name: (E)-N-benzyl-2-(3-bromo-4,5-dihydroxyphenyl)-1-cyanoethenesulfonamide Traditional Name: (E)-N-benzyl-2-(3-bromo-4,5-dihydroxy-phenyl)-1-cyano-ethenesulfonamide Formula: C16H13BrN2O4S MolecularWeight: 409.25442

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C(=CC2=CC(=C(C(=C2)Br)O)O)C#N

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)/C(=C/C2=CC(=C(C(=C2)Br)O)O)/C#N

InChI

InChI=1S/C16H13BrN2O4S/c17-14-7-12(8-15(20)16(14)21)6-13(9-18)24(22,23)19-10-11-4-2-1-3-5-11/h1-8,19-21H,10H2/b13-6+