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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C18H21N3O4S2/c1-15-5-7-16(8-6-15)27(24,25)20-12-10-19(11-13-20)17(22)14-26-18-4-2-3-9-21(18)23/h2-9H,10-14H2,1H3