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3-[4-formyl-6-(4-methyl-piperidine-1-sulfonyl)-quinolin-2-ylamino]-thiophene-2-carboxylic acid methyl ester
SpectraBase Compound ID F8E3VKAYBKm
InChI InChI=1S/C22H23N3O5S2/c1-14-5-8-25(9-6-14)32(28,29)16-3-4-18-17(12-16)15(13-26)11-20(23-18)24-19-7-10-31-21(19)22(27)30-2/h3-4,7,10-14H,5-6,8-9H2,1-2H3,(H,23,24)
InChIKey MYDPPFFGICXDRJ-UHFFFAOYSA-N
Mol Weight 473.56 g/mol
Molecular Formula C22H23N3O5S2
Exact Mass 473.107913 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 576oB8git8W
Name 3-[4-formyl-6-(4-methyl-piperidine-1-sulfonyl)-quinolin-2-ylamino]-thiophene-2-carboxylic acid methyl ester
Alternate Name(s) Methyl 3-({4-formyl-6-[(4-methyl-1-piperidinyl)sulfonyl]-2-quinolinyl}amino)-2-thiophenecarboxylate
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C22H23N3O5S2
InChI InChI=1S/C22H23N3O5S2/c1-14-5-8-25(9-6-14)32(28,29)16-3-4-18-17(12-16)15(13-26)11-20(23-18)24-19-7-10-31-21(19)22(27)30-2/h3-4,7,10-14H,5-6,8-9H2,1-2H3,(H,23,24)
InChIKey MYDPPFFGICXDRJ-UHFFFAOYSA-N
Molecular Weight 473.562 g/mol
SMILES N(c1ccsc1C(OC)=O)c1nc2c(cc(S(=O)(=O)N3CCC(CC3)C)cc2)c(c1)C=O
SPLASH splash10-0002-9421000000-3032e5189ad3419047f8
Wiley ID 1444306