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

Systemtic Name: (E)-2-[3-bromanyl-4,5-bis(oxidanyl)phenyl]-1-cyano-N-(4-phenylbutyl)ethenesulfonamide Openeye Name: (E)-2-(3-bromo-4,5-dihydroxy-phenyl)-1-cyano-N-(4-phenylbutyl)ethenesulfonamide CAS Name: (E)-2-(3-bromo-4,5-dihydroxyphenyl)-1-cyano-N-(4-phenylbutyl)ethenesulfonamide IUPAC Name: (E)-2-(3-bromo-4,5-dihydroxyphenyl)-1-cyano-N-(4-phenylbutyl)ethenesulfonamide Traditional Name: (E)-2-(3-bromo-4,5-dihydroxy-phenyl)-1-cyano-N-(4-phenylbutyl)ethenesulfonamide Formula: C19H19BrN2O4S MolecularWeight: 451.33416

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19BrN2O4S/c20-17-11-15(12-18(23)19(17)24)10-16(13-21)27(25,26)22-9-5-4-8-14-6-2-1-3-7-14/h1-3,6-7,10-12,22-24H,4-5,8-9H2/b16-10+