1-butyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-(3,3-dimethyl-2-oxidanylidene-butyl)sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-(3,3-dimethyl-2-oxo-butyl)sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[(3,3-dimethyl-2-oxobutyl)thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-(3,3-dimethyl-2-oxobutyl)sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[(2-keto-3,3-dimethyl-butyl)thio]benzimidazole-5-sulfonamide Formula: C17H25N3O3S2 MolecularWeight: 383.5287

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C(C)(C)C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1SCC(=O)C(C)(C)C

InChI

InChI=1S/C17H25N3O3S2/c1-5-6-9-20-14-8-7-12(25(18,22)23)10-13(14)19-16(20)24-11-15(21)17(2,3)4/h7-8,10H,5-6,9,11H2,1-4H3,(H2,18,22,23)