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Methyl {4-methyl-8-[(4-methyl-1-piperidinyl)sulfonyl]-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl}acetate
SpectraBase Compound ID 23cCJBmfNtr
InChI InChI=1S/C21H23N3O6S/c1-12-6-8-23(9-7-12)31(28,29)14-4-5-16-15(10-14)19-18(13(2)22-16)20(26)24(21(19)27)11-17(25)30-3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKey RGYGHWAOGQYWNP-UHFFFAOYSA-N
Mol Weight 445.49 g/mol
Molecular Formula C21H23N3O6S
Exact Mass 445.130757 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KQ5lgNzREm4
Name Methyl {4-methyl-8-[(4-methyl-1-piperidinyl)sulfonyl]-1,3-dioxo-1,3-dihydro-2H-pyrrolo[3,4-c]quinolin-2-yl}acetate
Alternate Name(s) [4-methyl-8-(4-methyl-piperidine-1-sulfonyl)-1,3-dioxo-1,3-dihydro-pyrrolo[3,4-c]quinolin-2-yl]-acetic acid methyl ester 2-[4-methyl-8-[(4-methyl-1-piperidinyl)sulfonyl]-1,3-dioxo-2-pyrrolo[3,4-c]quinolinyl]acetic acid methyl ester Methyl 2-[4-methyl-8-(4-methylpiperidin-1-yl)sulfonyl-1,3-dioxopyrrolo[3,4-c]quinolin-2-yl]acetate Methyl 2-[4-methyl-8-[(4-methyl-1-piperidyl)sulfonyl]-1,3-dioxo-pyrrolo[3,4-c]quinolin-2-yl]acetate Methyl 2-[4-methyl-8-(4-methylpiperidin-1-yl)sulfonyl-1,3-bis(oxidanylidene)pyrrolo[3,4-c]quinolin-2-yl]ethanoate
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Formula C21H23N3O6S
InChI InChI=1S/C21H23N3O6S/c1-12-6-8-23(9-7-12)31(28,29)14-4-5-16-15(10-14)19-18(13(2)22-16)20(26)24(21(19)27)11-17(25)30-3/h4-5,10,12H,6-9,11H2,1-3H3
InChIKey RGYGHWAOGQYWNP-UHFFFAOYSA-N
Molecular Weight 445.490 g/mol
SMILES COC(CN1C(c2c(nc3c(c2C1=O)cc(S(N1CCC(C)CC1)(=O)=O)cc3)C)=O)=O
SPLASH splash10-00kb-9460000000-808a180df1a5a312ab70
Wiley ID 1444315