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

Systemtic Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxidanylidene-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxo-ethyl]sulfanyl-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]thio]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[2-(1,3-benzodioxol-5-yl)-2-oxoethyl]sulfanyl-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[2-(1,3-benzodioxol-5-yl)-2-keto-ethyl]thio]-1-butyl-benzimidazole-5-sulfonamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H21N3O5S2/c1-2-3-8-23-16-6-5-14(30(21,25)26)10-15(16)22-20(23)29-11-17(24)13-4-7-18-19(9-13)28-12-27-18/h4-7,9-10H,2-3,8,11-12H2,1H3,(H2,21,25,26)