1-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[(3,5-dimethylisoxazol-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(3,5-dimethyl-4-isoxazolyl)methylthio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(3,5-dimethylisoxazol-4-yl)methylthio]benzimidazole-5-sulfonamide Formula: C17H22N4O3S2 MolecularWeight: 394.51158

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(ON=C3C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC3=C(ON=C3C)C

InChI

InChI=1S/C17H22N4O3S2/c1-4-5-8-21-16-7-6-13(26(18,22)23)9-15(16)19-17(21)25-10-14-11(2)20-24-12(14)3/h6-7,9H,4-5,8,10H2,1-3H3,(H2,18,22,23)