2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[(7-chloranyl-1,3-benzodioxol-5-yl)methylsulfanyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N,N,1-triethyl-benzimidazole-5-sulfonamide CAS Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N,N,1-triethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylsulfanyl]-N,N,1-triethylbenzimidazole-5-sulfonamide Traditional Name: 2-[(7-chloro-1,3-benzodioxol-5-yl)methylthio]-N,N,1-triethyl-benzimidazole-5-sulfonamide Formula: C21H24ClN3O4S2 MolecularWeight: 482.01596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24ClN3O4S2/c1-4-24(5-2)31(26,27)15-7-8-18-17(11-15)23-21(25(18)6-3)30-12-14-9-16(22)20-19(10-14)28-13-29-20/h7-11H,4-6,12-13H2,1-3H3