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

Systemtic Name: 2-[2-[3,4-bis(oxidanyl)phenyl]-2-oxidanylidene-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxo-ethyl]sulfanyl-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(3,4-dihydroxyphenyl)-2-oxoethyl]thio]-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(3,4-dihydroxyphenyl)-2-oxoethyl]sulfanyl-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(3,4-dihydroxyphenyl)-2-keto-ethyl]thio]-1-ethyl-benzimidazole-5-sulfonamide Formula: C17H17N3O5S2 MolecularWeight: 407.46398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC(=C(C=C3)O)O

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC(=C(C=C3)O)O

InChI

InChI=1S/C17H17N3O5S2/c1-2-20-13-5-4-11(27(18,24)25)8-12(13)19-17(20)26-9-16(23)10-3-6-14(21)15(22)7-10/h3-8,21-22H,2,9H2,1H3,(H2,18,24,25)