N,N-dimethyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1-propyl-benzimidazole-5-sulfonamide

Systemtic Name: N,N-dimethyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-1-propyl-benzimidazole-5-sulfonamide Openeye Name: N,N-dimethyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1-propyl-benzimidazole-5-sulfonamide CAS Name: N,N-dimethyl-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1-propyl-5-benzimidazolesulfonamide IUPAC Name: N,N-dimethyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-1-propylbenzimidazole-5-sulfonamide Traditional Name: N,N-dimethyl-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-1-propyl-benzimidazole-5-sulfonamide Formula: C18H22N4O3S2 MolecularWeight: 406.52228

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CCCN1C2=C(C=C(C=C2)S(=O)(=O)N(C)C)N=C1CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H22N4O3S2/c1-4-10-21-16-9-8-14(27(24,25)20(2)3)12-15(16)19-17(21)13-26-18-7-5-6-11-22(18)23/h5-9,11-12H,4,10,13H2,1-3H3