SpectraBase Spectrum ID |
IC5U3rSi7Vk |
Name |
N-(4-{[(3,4-dimethyl-5-isoxazolyl)amino]sulfonyl}phenyl)-2,2,3,3,4,4,4-heptafluorobutanamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
463.043674189 u |
Formula |
C15H12F7N3O4S |
InChI |
InChI=1S/C15H12F7N3O4S/c1-7-8(2)24-29-11(7)25-30(27,28)10-5-3-9(4-6-10)23-12(26)13(16,17)14(18,19)15(20,21)22/h3-6,25H,1-2H3,(H,23,26) |
InChIKey |
LJUBPXHISILQNX-UHFFFAOYSA-N |
Molecular Weight |
463.327 g/mol |
SMILES |
N(C(C(C(C(F)(F)F)(F)F)(F)F)=O)C1=CC=C(S(NC2=C(C(C)=NO2)C)(=O)=O)C=C1 |