2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]benzimidazole-5-sulfonamide Formula: C19H21N3O5S2 MolecularWeight: 435.51714

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C19H21N3O5S2/c1-2-3-8-22-15-6-5-13(29(20,26)27)10-14(15)21-19(22)28-11-18(25)12-4-7-16(23)17(24)9-12/h4-7,9-10,23-24H,2-3,8,11H2,1H3,(H2,20,26,27)