| SpectraBase Spectrum ID |
VLvxP42w4O |
| Name |
1-Piperazineacetamide, N-(2-methoxyphenyl)-4-[[4-(1-methylethyl)phenyl]sulfonyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
431.187877596 u |
| Formula |
C22H29N3O4S |
| InChI |
InChI=1S/C22H29N3O4S/c1-17(2)18-8-10-19(11-9-18)30(27,28)25-14-12-24(13-15-25)16-22(26)23-20-6-4-5-7-21(20)29-3/h4-11,17H,12-16H2,1-3H3,(H,23,26) |
| InChIKey |
VRZDIBRGLAJJLT-UHFFFAOYSA-N |
| Molecular Weight |
431.551 g/mol |
| SMILES |
N(C(CN1CCN(S(C2=CC=C(C=C2)C(C)C)(=O)=O)CC1)=O)C1=C(OC)C=CC=C1 |