SpectraBase Spectrum ID |
DOee457uUAq |
Name |
Piperazine, 1-(2-fluorophenyl)-4-[3-[(4-methoxyphenyl)sulfonyl]-1-oxopropyl]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
406.136256562 u |
Formula |
C20H23FN2O4S |
InChI |
InChI=1S/C20H23FN2O4S/c1-27-16-6-8-17(9-7-16)28(25,26)15-10-20(24)23-13-11-22(12-14-23)19-5-3-2-4-18(19)21/h2-9H,10-15H2,1H3 |
InChIKey |
YXRGFOJIQKHTJW-UHFFFAOYSA-N |
Molecular Weight |
406.472 g/mol |
SMILES |
C1=CC=C(N2CCN(C(CCS(C=3C=CC(=CC3)OC)(=O)=O)=O)CC2)C(F)=C1 |