2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N,1-triethyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-N,N,1-triethyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-N,N,1-triethyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-N,N,1-triethyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-N,N,1-triethylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-N,N,1-triethyl-benzimidazole-5-sulfonamide Formula: C22H25N3O5S2 MolecularWeight: 475.581

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N(CC)CC)N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C22H25N3O5S2/c1-4-24(5-2)32(27,28)16-8-9-18-17(12-16)23-22(25(18)6-3)31-13-19(26)15-7-10-20-21(11-15)30-14-29-20/h7-12H,4-6,13-14H2,1-3H3