2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone

Systemtic Name: 2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-[4-(phenylsulfonyl)piperazin-1-yl]ethanone Openeye Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(benzenesulfonyl)-1-piperazinyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[4-(benzenesulfonyl)piperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-(4-besylpiperazino)-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C17H19N3O4S2 MolecularWeight: 393.48046

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N3O4S2/c21-16(14-25-17-8-4-5-9-20(17)22)18-10-12-19(13-11-18)26(23,24)15-6-2-1-3-7-15/h1-9H,10-14H2