SpectraBase Spectrum ID |
CZQUWVpQk6a |
Name |
1-Piperazinepropanamide, N-(4-ethoxyphenyl)-4-[(4-methoxyphenyl)sulfonyl]- |
Comments |
Computed using HOSE algorithm |
Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
Exact Mass |
447.182792215 u |
Formula |
C22H29N3O5S |
InChI |
InChI=1S/C22H29N3O5S/c1-3-30-20-6-4-18(5-7-20)23-22(26)12-13-24-14-16-25(17-15-24)31(27,28)21-10-8-19(29-2)9-11-21/h4-11H,3,12-17H2,1-2H3,(H,23,26) |
InChIKey |
FISDVUATWINFKB-UHFFFAOYSA-N |
Molecular Weight |
447.550 g/mol |
SMILES |
N(C(CCN1CCN(S(C=2C=CC(=CC2)OC)(=O)=O)CC1)=O)C1=CC=C(C=C1)OCC |