1-butyl-N,N-dimethyl-2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-N,N-dimethyl-2-[2-(1-methylpyrrol-2-yl)-2-oxidanylidene-ethyl]sulfanyl-benzimidazole-5-sulfonamide Openeye Name: 1-butyl-N,N-dimethyl-2-[2-(1-methylpyrrol-2-yl)-2-oxo-ethyl]sulfanyl-benzimidazole-5-sulfonamide CAS Name: 1-butyl-N,N-dimethyl-2-[[2-(1-methyl-2-pyrrolyl)-2-oxoethyl]thio]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-N,N-dimethyl-2-[2-(1-methylpyrrol-2-yl)-2-oxoethyl]sulfanylbenzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[2-keto-2-(1-methylpyrrol-2-yl)ethyl]thio]-N,N-dimethyl-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(C)C)N=C1SCC(=O)C3=CC=CN3C

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1SCC(=O)C3=CC=CN3C

InChI

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