1-ethyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole

Systemtic Name: 1-ethyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]-5-piperidin-1-ylsulfonyl-benzimidazole Openeye Name: 1-ethyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-5-(1-piperidylsulfonyl)benzimidazole CAS Name: 1-ethyl-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-5-(1-piperidinylsulfonyl)benzimidazole IUPAC Name: 1-ethyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]-5-piperidin-1-ylsulfonylbenzimidazole Traditional Name: 1-ethyl-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]-5-piperidinosulfonyl-benzimidazole Formula: C20H24N4O3S2 MolecularWeight: 432.55956

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCCCC3)N=C1CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C20H24N4O3S2/c1-2-23-18-10-9-16(29(26,27)22-11-5-3-6-12-22)14-17(18)21-19(23)15-28-20-8-4-7-13-24(20)25/h4,7-10,13-14H,2-3,5-6,11-12,15H2,1H3