2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide

Systemtic Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide Openeye Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]sulfanylmethyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[[[5-(1,3-benzodioxol-5-yl)-1,3,4-oxadiazol-2-yl]thio]methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C21H21N5O5S2 MolecularWeight: 487.55194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1CSC3=NN=C(O3)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C21H21N5O5S2/c1-2-3-8-26-16-6-5-14(33(22,27)28)10-15(16)23-19(26)11-32-21-25-24-20(31-21)13-4-7-17-18(9-13)30-12-29-17/h4-7,9-10H,2-3,8,11-12H2,1H3,(H2,22,27,28)