SpectraBase Spectrum ID |
JzaHK5ABQ24 |
Name |
1-Ethyl-N-{4-[(2-methoxyanilino)sulfonyl]phenyl}-1H-pyrazole-3-carboxamide |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
400.120526310 u |
Formula |
C19H20N4O4S |
InChI |
InChI=1S/C19H20N4O4S/c1-3-23-13-12-17(21-23)19(24)20-14-8-10-15(11-9-14)28(25,26)22-16-6-4-5-7-18(16)27-2/h4-13,22H,3H2,1-2H3,(H,20,24) |
InChIKey |
VAKXMMLKSJDBMY-UHFFFAOYSA-N |
Molecular Weight |
400.453 g/mol |
SMILES |
N(C1=CC=C(S(NC2=C(OC)C=CC=C2)(=O)=O)C=C1)C(C1=NN(CC)C=C1)=O |