SpectraBase Spectrum ID |
KOsYK29BMjp |
Name |
Ethanone, 1-[4-[4-[3-[(4-methoxyphenyl)sulfonyl]-1-oxopropyl]-1-piperazinyl]phenyl]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
430.156243114 u |
Formula |
C22H26N2O5S |
InChI |
InChI=1S/C22H26N2O5S/c1-17(25)18-3-5-19(6-4-18)23-12-14-24(15-13-23)22(26)11-16-30(27,28)21-9-7-20(29-2)8-10-21/h3-10H,11-16H2,1-2H3 |
InChIKey |
TVHJLFOYCXXRFQ-UHFFFAOYSA-N |
Molecular Weight |
430.519 g/mol |
SMILES |
COC1=CC=C(S(CCC(N2CCN(CC2)C2=CC=C(C=C2)C(=O)C)=O)(=O)=O)C=C1 |