| SpectraBase Spectrum ID |
5X2XeBGa50M |
| Name |
2-{2-[4-(2-Naphthylsulfonyl)-1-piperazinyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
499.156577467 u |
| Formula |
C28H25N3O4S |
| InChI |
InChI=1S/C28H25N3O4S/c32-27-24-9-3-7-21-8-4-10-25(26(21)24)28(33)31(27)18-15-29-13-16-30(17-14-29)36(34,35)23-12-11-20-5-1-2-6-22(20)19-23/h1-12,19H,13-18H2 |
| InChIKey |
JUWVXEXWGSCKCK-UHFFFAOYSA-N |
| Molecular Weight |
499.585 g/mol |
| SMILES |
C=1C=C2C=CC(S(N3CCN(CCN4C(C=5C=CC=C6C5C(C4=O)=CC=C6)=O)CC3)(=O)=O)=CC2=CC1 |
![2-{2-[4-(2-naphthylsulfonyl)-1-piperazinyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione](/api/spectrum/5X2XeBGa50M/structure.png?h=300&w=458 "2-{2-[4-(2-naphthylsulfonyl)-1-piperazinyl]ethyl}-1H-benzo[de]isoquinoline-1,3(2H)-dione")
