1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone

Systemtic Name: 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone Openeye Name: 2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)sulfanyl]-1-[3-(p-tolylsulfonyl)imidazolidin-1-yl]ethanone CAS Name: 1-[3-(4-methylphenyl)sulfonyl-1-imidazolidinyl]-2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)thio]ethanone IUPAC Name: 1-[3-(4-methylphenyl)sulfonylimidazolidin-1-yl]-2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)sulfanyl]ethanone Traditional Name: 2-[(6-nitro-1H-benzimidazol-3-ium-2-yl)thio]-1-(3-tosylimidazolidin-1-yl)ethanone Formula: C19H20N5O5S2+ MolecularWeight: 462.5226

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2)C(=O)CSC3=[NH+]C4=C(N3)C=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(C2)C(=O)CSC3=[NH+]C4=C(N3)C=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C19H19N5O5S2/c1-13-2-5-15(6-3-13)31(28,29)23-9-8-22(12-23)18(25)11-30-19-20-16-7-4-14(24(26)27)10-17(16)21-19/h2-7,10H,8-9,11-12H2,1H3,(H,20,21)/p+1