1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone

Systemtic Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-ethanone Openeye Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-ethanone CAS Name: 1-[4-(3,4-dimethylphenyl)sulfonyl-1-piperazinyl]-2-[(1-oxido-2-pyridin-1-iumyl)thio]ethanone IUPAC Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-2-(1-oxidopyridin-1-ium-2-yl)sulfanylethanone Traditional Name: 1-[4-(3,4-dimethylphenyl)sulfonylpiperazino]-2-[(1-oxidopyridin-1-ium-2-yl)thio]ethanone Formula: C19H23N3O4S2 MolecularWeight: 421.53362

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H23N3O4S2/c1-15-6-7-17(13-16(15)2)28(25,26)21-11-9-20(10-12-21)18(23)14-27-19-5-3-4-8-22(19)24/h3-8,13H,9-12,14H2,1-2H3