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[5-carboxymethyl-2-methyl-8-(p-tolylsulfonylamino)-6-quinolyloxy]acetic acid
SpectraBase Compound ID 6ebeW8acPxF
InChI InChI=1S/C21H20N2O7S/c1-12-3-6-14(7-4-12)31(28,29)23-17-10-18(30-11-20(26)27)16(9-19(24)25)15-8-5-13(2)22-21(15)17/h3-8,10,23H,9,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKey PQRDXTFMSCVKNB-UHFFFAOYSA-N
Mol Weight 444.46 g/mol
Molecular Formula C21H20N2O7S
Exact Mass 444.099122 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID EnNcDb73Gz6
Name [5-carboxymethyl-2-methyl-8-(p-tolylsulfonylamino)-6-quinolyloxy]acetic acid
Alternate Name(s) (6-(carboxymethoxy)-2-methyl-8-{[(4-methylphenyl)sulfonyl]amino}-5-quinolinyl)acetic acid
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C21H20N2O7S
InChI InChI=1S/C21H20N2O7S/c1-12-3-6-14(7-4-12)31(28,29)23-17-10-18(30-11-20(26)27)16(9-19(24)25)15-8-5-13(2)22-21(15)17/h3-8,10,23H,9,11H2,1-2H3,(H,24,25)(H,26,27)
InChIKey PQRDXTFMSCVKNB-UHFFFAOYSA-N
Molecular Weight 444.458 g/mol
SMILES N(c1cc(c(CC(=O)O)c2c1nc(cc2)C)OCC(=O)O)S(c1ccc(cc1)C)(=O)=O
SPLASH splash10-0f77-2640900000-eba6cc77a0ac45d75fb9
Source of Spectrum JA-49-561-0
Wiley ID 1385904