1-(4-methylsulfonylpiperazin-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-(4-methylsulfonyl-1-piperazinyl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-(4-methylsulfonylpiperazin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(4-mesylpiperazino)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C12H17N3O4S2 MolecularWeight: 331.41108

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=CC=CC=[N+]2[O-]

Isomeric SMILES

CS(=O)(=O)N1CCN(CC1)C(=O)CSC2=CC=CC=[N+]2[O-]

InChI

InChI=1S/C12H17N3O4S2/c1-21(18,19)14-8-6-13(7-9-14)11(16)10-20-12-4-2-3-5-15(12)17/h2-5H,6-10H2,1H3