2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-ethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-ethyl-benzimidazole-5-sulfonamide Openeye Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-ethyl-benzimidazole-5-sulfonamide CAS Name: 2-(1,3-benzodioxol-5-ylmethylthio)-1-ethyl-5-benzimidazolesulfonamide IUPAC Name: 2-(1,3-benzodioxol-5-ylmethylsulfanyl)-1-ethylbenzimidazole-5-sulfonamide Traditional Name: 1-ethyl-2-(piperonylthio)benzimidazole-5-sulfonamide Formula: C17H17N3O4S2 MolecularWeight: 391.46458

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C17H17N3O4S2/c1-2-20-14-5-4-12(26(18,21)22)8-13(14)19-17(20)25-9-11-3-6-15-16(7-11)24-10-23-15/h3-8H,2,9-10H2,1H3,(H2,18,21,22)