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6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(2-pyridinyl)-4-quinolinecarboxylic acid
SpectraBase Compound ID CIRdxdPJCxo
InChI InChI=1S/C21H21N3O4S/c1-14-7-10-24(11-8-14)29(27,28)15-5-6-18-16(12-15)17(21(25)26)13-20(23-18)19-4-2-3-9-22-19/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)
InChIKey KAORUWTYRCOVRY-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 IkQ9bwv8L6k
Name 6-[(4-methyl-1-piperidinyl)sulfonyl]-2-(2-pyridinyl)-4-quinolinecarboxylic acid
Alternate Name(s) 6-(4-Methylpiperidin-1-yl)sulfonyl-2-pyridin-2-ylquinoline-4-carboxylic acid 6-[(4-methyl-1-piperidyl)sulfonyl]-2-(2-pyridyl)quinoline-4-carboxylic acid 6-(4-Methylpiperidin-1-yl)sulfonyl-2-pyridin-2-yl-quinoline-4-carboxylic acid
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Formula C21H21N3O4S
InChI InChI=1S/C21H21N3O4S/c1-14-7-10-24(11-8-14)29(27,28)15-5-6-18-16(12-15)17(21(25)26)13-20(23-18)19-4-2-3-9-22-19/h2-6,9,12-14H,7-8,10-11H2,1H3,(H,25,26)
InChIKey KAORUWTYRCOVRY-UHFFFAOYSA-N
Molecular Weight 411.476 g/mol
SMILES OC(=O)c1cc(nc2c1cc(cc2)S(=O)(=O)N1CCC(CC1)C)-c1ccccn1
SPLASH splash10-0002-9220000000-6c9f741e0256246cdc40
Wiley ID 1444303