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

Systemtic Name: 1-butyl-2-[(4-ethanoylpiperazin-1-ium-1-yl)methyl]benzimidazole-5-sulfonamide Openeye Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1-butyl-benzimidazole-5-sulfonamide CAS Name: 2-[(4-acetyl-1-piperazin-1-iumyl)methyl]-1-butyl-5-benzimidazolesulfonamide IUPAC Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1-butylbenzimidazole-5-sulfonamide Traditional Name: 2-[(4-acetylpiperazin-1-ium-1-yl)methyl]-1-butyl-benzimidazole-5-sulfonamide Formula: C18H28N5O3S+ MolecularWeight: 394.51162

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C18H27N5O3S/c1-3-4-7-23-17-6-5-15(27(19,25)26)12-16(17)20-18(23)13-21-8-10-22(11-9-21)14(2)24/h5-6,12H,3-4,7-11,13H2,1-2H3,(H2,19,25,26)/p+1