2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C18H21N3O4S2 MolecularWeight: 407.50704

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CSC2=CC=CC=[N+]2[O-])S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)CSC2=CC=CC=[N+]2[O-])S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C18H21N3O4S2/c22-17(14-26-18-8-4-5-9-21(18)23)19-10-12-20(13-11-19)27(24,25)15-16-6-2-1-3-7-16/h1-9H,10-15H2