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N-[4-[(4-acetamidophenyl)sulfonyl-(5-chloro-2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
SpectraBase Compound ID 6dU6KZ8GZtN
InChI InChI=1S/C22H22ClN5O6S2/c1-13-21(23)22(25-14(2)24-13)28(35(31,32)19-9-5-17(6-10-19)26-15(3)29)36(33,34)20-11-7-18(8-12-20)27-16(4)30/h5-12H,1-4H3,(H,26,29)(H,27,30)
InChIKey HBPJXKWIPKXINJ-UHFFFAOYSA-N
Mol Weight 552.02 g/mol
Molecular Formula C22H22ClN5O6S2
Exact Mass 551.070003 g/mol

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

13C Nuclear Magnetic Resonance (NMR) Chemical Shifts

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SpectraBase Spectrum ID 2ZOI6LwsA7g
Name N-[4-[(4-acetamidophenyl)sulfonyl-(5-chloro-2,6-dimethylpyrimidin-4-yl)sulfamoyl]phenyl]acetamide
Compound Number 3B
Copyright Copyright © 2016-2024 W. Robien, Inst. of Org. Chem., Univ. of Vienna. All Rights Reserved.
Formula C22H22ClN5O6S2
InChI InChI=1S/C22H22ClN5O6S2/c1-13-21(23)22(25-14(2)24-13)28(35(31,32)19-9-5-17(6-10-19)26-15(3)29)36(33,34)20-11-7-18(8-12-20)27-16(4)30/h5-12H,1-4H3,(H,26,29)(H,27,30)
InChIKey HBPJXKWIPKXINJ-UHFFFAOYSA-N
Literature Reference Author E.GRUENDEMANN,H.J.NICLAS,F.ZEUNER
Literature Reference Citation J.PRAKT.CHEM.,329,391(1987)
Literature Reference DOI 10.1002/prac.19873290303
Molecular Weight 552.020 g/mol
Solvent DMSO-D6
Source File Reference UWED6862