| SpectraBase Spectrum ID |
3CQYqIV5JnX |
| Name |
2-{2-[4-(2-Methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-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 |
415.120191957 u |
| Formula |
C20H21N3O5S |
| InChI |
InChI=1S/C20H21N3O5S/c1-28-17-8-4-3-7-16(17)21-10-12-22(13-11-21)19(24)14-23-20(25)15-6-2-5-9-18(15)29(23,26)27/h2-9H,10-14H2,1H3 |
| InChIKey |
HBACMMQZQUFEME-UHFFFAOYSA-N |
| Molecular Weight |
415.464 g/mol |
| SMILES |
C=1C=CC(N2CCN(C(CN3S(C=4C(=CC=CC4)C3=O)(=O)=O)=O)CC2)=C(OC)C1 |
![2-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-1,2-benzisothiazol-3(2H)-one 1,1-dioxide](/api/spectrum/3CQYqIV5JnX/structure.png?h=300&w=458 "2-{2-[4-(2-methoxyphenyl)-1-piperazinyl]-2-oxoethyl}-1,2-benzisothiazol-3(2H)-one 1,1-dioxide")
