| SpectraBase Spectrum ID |
BjzqBjuFwyW |
| Name |
N-{{p-[5-(2-Thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thio-1-piperidinecarboximidic acid, methyl ester |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
514.077873941 u |
| Formula |
C21H21F3N4O2S3 |
| InChI |
InChI=1S/C21H21F3N4O2S3/c1-31-20(27-11-3-2-4-12-27)26-33(29,30)16-9-7-15(8-10-16)28-17(18-6-5-13-32-18)14-19(25-28)21(22,23)24/h5-10,13-14H,2-4,11-12H2,1H3/b26-20- |
| InChIKey |
RUFRNILTSVTBSX-QOMWVZHYSA-N |
| Molecular Weight |
514.600 g/mol |
| SMILES |
C(F)(F)(F)C1=NN(C(=C1)C1=CC=CS1)C1=CC=C(S(\N=C\(N2CCCCC2)SC)(=O)=O)C=C1 |
![N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thio-1-piperidinecarboximidic acid, methyl ester](/api/spectrum/BjzqBjuFwyW/structure.png?h=300&w=458 "N-{{p-[5-(2-thienyl)-3-(trifluoromethyl)pyrazol-1-yl]phenyl}sulfonyl}thio-1-piperidinecarboximidic acid, methyl ester")
