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Ethyl 2-[4-(3,4-dimethylisoxazol-5-ylsulfamoyl)anilino]-3,3,3-trifluoro-2-propionamidopropionate
SpectraBase Compound ID FX9E635S7fK
InChI InChI=1S/C19H23F3N4O6S/c1-5-15(27)24-18(19(20,21)22,17(28)31-6-2)23-13-7-9-14(10-8-13)33(29,30)26-16-11(3)12(4)25-32-16/h7-10,23,26H,5-6H2,1-4H3,(H,24,27)
InChIKey QNLREGMUIGZUPP-UHFFFAOYSA-N
Mol Weight 492.47 g/mol
Molecular Formula C19H23F3N4O6S
Exact Mass 492.12904 g/mol

Mass Spectrum (GC)

Mass Spectrum (GC)

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SpectraBase Spectrum ID 8nKLAIF266a
Name Ethyl 2-[4-(3,4-dimethylisoxazol-5-ylsulfamoyl)anilino]-3,3,3-trifluoro-2-propionamidopropionate
CAS Registry Number 339353-04-7
Copyright Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved.
Formula C19H23F3N4O6S
InChI InChI=1S/C19H23F3N4O6S/c1-5-15(27)24-18(19(20,21)22,17(28)31-6-2)23-13-7-9-14(10-8-13)33(29,30)26-16-11(3)12(4)25-32-16/h7-10,23,26H,5-6H2,1-4H3,(H,24,27)
InChIKey QNLREGMUIGZUPP-UHFFFAOYSA-N
Molecular Weight 492.470 g/mol
SMILES N(c1c(c(no1)C)C)S(c1ccc(cc1)NC(C(=O)OCC)(C(F)(F)F)NC(=O)CC)(=O)=O
SPLASH splash10-0a4i-9300000000-9d48675a1231106c34ff
Synonyms 2-[4-[(3,4-dimethyl-5-isoxazolyl)sulfamoyl]anilino]-3,3,3-trifluoro-2-(1-oxopropylamino)propanoic acid ethyl ester 2-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]anilino]-3,3,3-trifluoro-2-propionamido-propionic acid ethyl ester Ethyl 2-(4-([(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl)anilino)-3,3,3-trifluoro-2-(propionylamino)propanoate Ethyl 2-[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]anilino]-3,3,3-trifluoro-2-(propanoylamino)propanoate Ethyl 2-[4-[(3,4-dimethylisoxazol-5-yl)sulfamoyl]anilino]-3,3,3-trifluoro-2-(propanoylamino)propanoate Ethyl 2-[[4-[(3,4-dimethyl-1,2-oxazol-5-yl)sulfamoyl]phenyl]amino]-3,3,3-tris(fluoranyl)-2-(propanoylamino)propanoate
Wiley ID 1468608