2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-methyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(6-chloranyl-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-methyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-methyl-benzimidazole-5-sulfonamide CAS Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1-methyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-methylbenzimidazole-5-sulfonamide Traditional Name: 2-[(6-chloro-4H-1,3-benzodioxin-8-yl)methylthio]-1-methyl-benzimidazole-5-sulfonamide Formula: C17H16ClN3O4S2 MolecularWeight: 425.90964

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C4C(=CC(=C3)Cl)COCO4

Isomeric SMILES

CN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C4C(=CC(=C3)Cl)COCO4

InChI

InChI=1S/C17H16ClN3O4S2/c1-21-15-3-2-13(27(19,22)23)6-14(15)20-17(21)26-8-11-5-12(18)4-10-7-24-9-25-16(10)11/h2-6H,7-9H2,1H3,(H2,19,22,23)