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Ethyl 2-[4-(4,6-dimethylpyrimidin-2-ylsulfamoyl)anilino]-3,3,3-trifluoro-2-propionamidopropionate
SpectraBase Compound ID 6mpm2Q9IIHE
InChI InChI=1S/C20H24F3N5O5S/c1-5-16(29)27-19(20(21,22)23,17(30)33-6-2)26-14-7-9-15(10-8-14)34(31,32)28-18-24-12(3)11-13(4)25-18/h7-11,26H,5-6H2,1-4H3,(H,27,29)(H,24,25,28)
InChIKey KLUIQDRJVHIQPX-UHFFFAOYSA-N
Mol Weight 503.5 g/mol
Molecular Formula C20H24F3N5O5S
Exact Mass 503.145025 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 5rUcBcb7aVd
Name Ethyl 2-[4-(4,6-dimethylpyrimidin-2-ylsulfamoyl)anilino]-3,3,3-trifluoro-2-propionamidopropionate
Alternate Name(s) Ethyl 2-(4-([(4,6-dimethyl-2-pyrimidinyl)amino]sulfonyl)anilino)-3,3,3-trifluoro-2-(propionylamino)propanoate
CAS Registry Number 339353-02-5
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C20H24F3N5O5S
InChI InChI=1S/C20H24F3N5O5S/c1-5-16(29)27-19(20(21,22)23,17(30)33-6-2)26-14-7-9-15(10-8-14)34(31,32)28-18-24-12(3)11-13(4)25-18/h7-11,26H,5-6H2,1-4H3,(H,27,29)(H,24,25,28)
InChIKey KLUIQDRJVHIQPX-UHFFFAOYSA-N
Molecular Weight 503.497 g/mol
SMILES N(C(C(F)(F)F)(C(=O)OCC)Nc1ccc(S(Nc2nc(cc(n2)C)C)(=O)=O)cc1)C(=O)CC
SPLASH splash10-0a4i-9222000000-2da0d000caefa62a80b7
Wiley ID 1468610