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

Systemtic Name: 1-butyl-2-[[4-(methylsulfonylamino)piperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[4-(methanesulfonamido)piperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[4-(methanesulfonamido)-1-piperidin-1-iumyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[4-(methanesulfonamido)piperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[4-(methanesulfonamido)piperidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Formula: C18H30N5O4S2+ MolecularWeight: 444.5919

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H29N5O4S2/c1-3-4-9-23-17-6-5-15(29(19,26)27)12-16(17)20-18(23)13-22-10-7-14(8-11-22)21-28(2,24)25/h5-6,12,14,21H,3-4,7-11,13H2,1-2H3,(H2,19,26,27)/p+1