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6-(4-Methylpiperidin-1-yl)sulfonyl-2-pyridin-3-yl-quinoline-4-carboxylic acid
SpectraBase Compound ID 3tmyT8eLErD
InChI InChI=1S/C21H21N3O4S/c1-14-6-9-24(10-7-14)29(27,28)16-4-5-19-17(11-16)18(21(25)26)12-20(23-19)15-3-2-8-22-13-15/h2-5,8,11-14H,6-7,9-10H2,1H3,(H,25,26)
InChIKey OPZPVVONIWUDKI-UHFFFAOYSA-N
Mol Weight 411.48 g/mol
Molecular Formula C21H21N3O4S
Exact Mass 411.125277 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID KR803uvWYMU
Name 6-(4-Methylpiperidin-1-yl)sulfonyl-2-pyridin-3-yl-quinoline-4-carboxylic acid
Alternate Name(s) 6-(4-Methylpiperidino)sulfonyl-2-(3-pyridyl)cinchoninic acid 6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(3-pyridinyl)-4-quinolinecarboxylic acid 6-[(4-methyl-1-piperidyl)sulfonyl]-2-(3-pyridyl)quinoline-4-carboxylic acid
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Formula C21H21N3O4S
InChI InChI=1S/C21H21N3O4S/c1-14-6-9-24(10-7-14)29(27,28)16-4-5-19-17(11-16)18(21(25)26)12-20(23-19)15-3-2-8-22-13-15/h2-5,8,11-14H,6-7,9-10H2,1H3,(H,25,26)
InChIKey OPZPVVONIWUDKI-UHFFFAOYSA-N
Molecular Weight 411.476 g/mol
SMILES OC(=O)c1cc(nc2c1cc(cc2)S(=O)(=O)N1CCC(CC1)C)-c1cccnc1
SPLASH splash10-0002-9100000000-161dbc568fc8b30e3a74
Wiley ID 1444308