1-butyl-2-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[(4-thiophen-2-ylcarbonylpiperazin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-[oxo(thiophen-2-yl)methyl]-1-piperazin-1-iumyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[4-(thiophene-2-carbonyl)piperazin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-(2-thenoyl)piperazin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Formula: C21H28N5O3S2+ MolecularWeight: 462.60872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CCN(CC3)C(=O)C4=CC=CS4

InChI

InChI=1S/C21H27N5O3S2/c1-2-3-8-26-18-7-6-16(31(22,28)29)14-17(18)23-20(26)15-24-9-11-25(12-10-24)21(27)19-5-4-13-30-19/h4-7,13-14H,2-3,8-12,15H2,1H3,(H2,22,28,29)/p+1