1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(2,5-dimethoxyphenyl)sulfonyl-1-piperazinyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[4-(2,5-dimethoxyphenyl)sulfonylpiperazino]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C19H23N3O6S2 MolecularWeight: 453.53242

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)OC)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C19H23N3O6S2/c1-27-15-6-7-16(28-2)17(13-15)30(25,26)21-11-9-20(10-12-21)18(23)14-29-19-5-3-4-8-22(19)24/h3-8,13H,9-12,14H2,1-2H3