4-[1-ethyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]benzimidazol-5-yl]sulfonylmorpholine

Systemtic Name: 4-[1-ethyl-2-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]benzimidazol-5-yl]sulfonylmorpholine Openeye Name: 4-[1-ethyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzimidazol-5-yl]sulfonylmorpholine CAS Name: 4-[[1-ethyl-2-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-5-benzimidazolyl]sulfonyl]morpholine IUPAC Name: 4-[1-ethyl-2-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]benzimidazol-5-yl]sulfonylmorpholine Traditional Name: 4-[1-ethyl-2-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]benzimidazol-5-yl]sulfonylmorpholine Formula: C19H22N4O4S2 MolecularWeight: 434.53238

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=CC=CC=[N+]4[O-]

Isomeric SMILES

CCN1C2=C(C=C(C=C2)S(=O)(=O)N3CCOCC3)N=C1CSC4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C19H22N4O4S2/c1-2-22-17-7-6-15(29(25,26)21-9-11-27-12-10-21)13-16(17)20-18(22)14-28-19-5-3-4-8-23(19)24/h3-8,13H,2,9-12,14H2,1H3