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1-Methyl-6-[2-(2-methylsulfonyl-5,5-dioxo-10-phenothiazinyl)ethyl]-2-piperidinone
SpectraBase Compound ID 97e6wlGVnN8
InChI InChI=1S/C21H24N2O5S2/c1-22-15(6-5-9-21(22)24)12-13-23-17-7-3-4-8-19(17)30(27,28)20-11-10-16(14-18(20)23)29(2,25)26/h3-4,7-8,10-11,14-15H,5-6,9,12-13H2,1-2H3
InChIKey POMMEFCREYTXDF-UHFFFAOYSA-N
Mol Weight 448.55 g/mol
Molecular Formula C21H24N2O5S2
Exact Mass 448.112664 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 7aIReDSj9jg
Name 1-Methyl-6-[2-(2-methylsulfonyl-5,5-dioxo-10-phenothiazinyl)ethyl]-2-piperidinone
Alternate Name(s) 1-Methyl-6-[2-(2-methylsulfonyl-5,5-dioxo-phenothiazin-10-yl)ethyl]piperidin-2-one 1-Methyl-6-[2-[2-methylsulfonyl-5,5-bis(oxidanylidene)phenothiazin-10-yl]ethyl]piperidin-2-one 6-[2-(5,5-diketo-2-mesyl-phenothiazin-10-yl)ethyl]-1-methyl-2-piperidone
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Formula C21H24N2O5S2
InChI InChI=1S/C21H24N2O5S2/c1-22-15(6-5-9-21(22)24)12-13-23-17-7-3-4-8-19(17)30(27,28)20-11-10-16(14-18(20)23)29(2,25)26/h3-4,7-8,10-11,14-15H,5-6,9,12-13H2,1-2H3
InChIKey POMMEFCREYTXDF-UHFFFAOYSA-N
Molecular Weight 448.552 g/mol
SMILES c12S(c3c(N(c2cc(S(=O)(=O)C)cc1)CCC1N(C(=O)CCC1)C)cccc3)(=O)=O
SPLASH splash10-0nta-1691200000-a33f01a571574086a8fc
Source of Spectrum Y-28-218-13
Wiley ID 1387084