| SpectraBase Spectrum ID |
LMBBLEnsTTI |
| Name |
Piperazine, 1-ethyl-4-[[1-(phenylsulfonyl)-3-piperidinyl]carbonyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
365.177312912 u |
| Formula |
C18H27N3O3S |
| InChI |
InChI=1S/C18H27N3O3S/c1-2-19-11-13-20(14-12-19)18(22)16-7-6-10-21(15-16)25(23,24)17-8-4-3-5-9-17/h3-5,8-9,16H,2,6-7,10-15H2,1H3 |
| InChIKey |
KHGARDVQEVLEDB-UHFFFAOYSA-N |
| Molecular Weight |
365.492 g/mol |
| SMILES |
C1=CC=C(S(N2CC(C(N3CCN(CC3)CC)=O)CCC2)(=O)=O)C=C1 |