| SpectraBase Spectrum ID |
ArCTqUMTMOT |
| Name |
Piperazine, 1-(3-chloro-2-methylphenyl)-4-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]- |
| Comments |
Computed using HOSE algorithm |
| Copyright |
Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass |
406.148176989 u |
| Formula |
C21H27ClN2O2S |
| InChI |
InChI=1S/C21H27ClN2O2S/c1-16-19(22)6-5-7-20(16)23-12-14-24(15-13-23)27(25,26)18-10-8-17(9-11-18)21(2,3)4/h5-11H,12-15H2,1-4H3 |
| InChIKey |
YSHGAZBHERKKPJ-UHFFFAOYSA-N |
| Molecular Weight |
406.972 g/mol |
| SMILES |
CC(C=1C=CC(S(N2CCN(C3=C(C(Cl)=CC=C3)C)CC2)(=O)=O)=CC1)(C)C |
![Piperazine, 1-(3-chloro-2-methylphenyl)-4-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-](/api/spectrum/ArCTqUMTMOT/structure.png?h=300&w=458 "Piperazine, 1-(3-chloro-2-methylphenyl)-4-[[4-(1,1-dimethylethyl)phenyl]sulfonyl]-")
