| SpectraBase Spectrum ID |
AOvUs3coUrk |
| Name |
N-(2,6-Dimethyl-4-pyrimidinyl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzenesulfonamide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
424.120526310 u |
| Formula |
C21H20N4O4S |
| InChI |
InChI=1S/C21H20N4O4S/c1-11-9-17(23-12(2)22-11)24-30(28,29)16-7-5-15(6-8-16)25-20(26)18-13-3-4-14(10-13)19(18)21(25)27/h3-9,13-14,18-19H,10H2,1-2H3,(H,22,23,24)/t13-,14+,18+,19- |
| InChIKey |
IPRZXPRUTJAQOJ-BZUPMSHVSA-N |
| Molecular Weight |
424.475 g/mol |
| SMILES |
N(S(C=1C=CC(N2C([C@@]3([C@@]4(C=C[C@]([C@]3(C2=O)[H])(C4)[H])[H])[H])=O)=CC1)(=O)=O)C=1N=C(C)N=C(C1)C |
![N-(2,6-dimethyl-4-pyrimidinyl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzenesulfonamide](/api/spectrum/AOvUs3coUrk/structure.png?h=300&w=458 "N-(2,6-dimethyl-4-pyrimidinyl)-4-(3,5-dioxo-4-azatricyclo[5.2.1.0~2,6~]dec-8-en-4-yl)benzenesulfonamide")
