1-butyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide

Systemtic Name: 1-butyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Openeye Name: 1-butyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide CAS Name: 1-butyl-2-[[(2R)-2-thiophen-2-yl-1-pyrrolidin-1-iumyl]methyl]-5-benzimidazolesulfonamide IUPAC Name: 1-butyl-2-[[(2R)-2-thiophen-2-ylpyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Traditional Name: 1-butyl-2-[[(2R)-2-(2-thienyl)pyrrolidin-1-ium-1-yl]methyl]benzimidazole-5-sulfonamide Formula: C20H27N4O2S2+ MolecularWeight: 419.58398

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CCCC3C4=CC=CS4

Isomeric SMILES

CCCCN1C2=C(C=C(C=C2)S(=O)(=O)N)N=C1C[NH+]3CCC[C@@H]3C4=CC=CS4

InChI

InChI=1S/C20H26N4O2S2/c1-2-3-11-24-17-9-8-15(28(21,25)26)13-16(17)22-20(24)14-23-10-4-6-18(23)19-7-5-12-27-19/h5,7-9,12-13,18H,2-4,6,10-11,14H2,1H3,(H2,21,25,26)/p+1/t18-/m1/s1