| SpectraBase Spectrum ID |
FcAz7DURfIK |
| Name |
2-{3-[4-(2-Pyrimidinyl)-1-piperazinyl]propyl}-1,2-benzisothiazol-3(2H)-one 1,1-dioxide |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
387.136510727 u |
| Formula |
C18H21N5O3S |
| InChI |
InChI=1S/C18H21N5O3S/c24-17-15-5-1-2-6-16(15)27(25,26)23(17)10-4-9-21-11-13-22(14-12-21)18-19-7-3-8-20-18/h1-3,5-8H,4,9-14H2 |
| InChIKey |
MPLTZRTXQLNGED-UHFFFAOYSA-N |
| Molecular Weight |
387.458 g/mol |
| SMILES |
C1(=O)C2=C(C=CC=C2)S(N1CCCN1CCN(CC1)C1=NC=CC=N1)(=O)=O |
![2-{3-[4-(2-Pyrimidinyl)-1-piperazinyl]propyl}-1,2-benzisothiazol-3(2H)-one 1,1-dioxide](/api/spectrum/FcAz7DURfIK/structure.png?h=300&w=458 "2-{3-[4-(2-Pyrimidinyl)-1-piperazinyl]propyl}-1,2-benzisothiazol-3(2H)-one 1,1-dioxide")
