| SpectraBase Spectrum ID |
KI0K0O5ar5m |
| Name |
2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}-N-isobutylbenzamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
415.120191957 u |
| Formula |
C20H21N3O5S |
| InChI |
InChI=1S/C20H21N3O5S/c1-13(2)11-21-19(25)14-7-3-5-9-16(14)22-18(24)12-23-20(26)15-8-4-6-10-17(15)29(23,27)28/h3-10,13H,11-12H2,1-2H3,(H,21,25)(H,22,24) |
| InChIKey |
VXHUUDOOMNMZMG-UHFFFAOYSA-N |
| Molecular Weight |
415.464 g/mol |
| SMILES |
N(C=1C(C(NCC(C)C)=O)=CC=CC1)C(CN1S(C=2C(=CC=CC2)C1=O)(=O)=O)=O |
![2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}-N-isobutylbenzamide](/api/spectrum/KI0K0O5ar5m/structure.png?h=300&w=458 "2-{[(1,1-dioxido-3-oxo-1,2-benzisothiazol-2(3H)-yl)acetyl]amino}-N-isobutylbenzamide")
