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

Systemtic Name: 1-butyl-2-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]thio]benzimidazole-5-sulfonamide Formula: C20H26N4O3S2 MolecularWeight: 434.57544

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H26N4O3S2/c1-5-6-9-24-18-8-7-15(29(21,26)27)11-17(18)22-20(24)28-12-19(25)16-10-13(2)23(4)14(16)3/h7-8,10-11H,5-6,9,12H2,1-4H3,(H2,21,26,27)