| SpectraBase Spectrum ID |
AAaSCmH0mGN |
| Name |
N-{2-[(2-Chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
442.022405210 u |
| Formula |
C18H16ClFN2O4S2 |
| InChI |
InChI=1S/C18H16ClFN2O4S2/c19-14-5-3-6-15(20)13(14)11-27-9-8-21-17(23)10-22-18(24)12-4-1-2-7-16(12)28(22,25)26/h1-7H,8-11H2,(H,21,23) |
| InChIKey |
JKQSAVDNEINSSR-UHFFFAOYSA-N |
| Molecular Weight |
442.907 g/mol |
| SMILES |
N(C(CN1S(C=2C(=CC=CC2)C1=O)(=O)=O)=O)CCSCC1=C(F)C=CC=C1Cl |
![N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide](/api/spectrum/AAaSCmH0mGN/structure.png?h=300&w=458 "N-{2-[(2-chloro-6-fluorobenzyl)sulfanyl]ethyl}-2-(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetamide")
