![Quinoline, 7-chloro-4-[4-(methylsulfonyl)-1-piperazinyl]-](/api/spectrum/HWK99rU71lc/structure.png?h=300&w=458 "Quinoline, 7-chloro-4-[4-(methylsulfonyl)-1-piperazinyl]-")
| SpectraBase Compound ID | JoOUda4P0qT |
|---|---|
| InChI | InChI=1S/C14H16ClN3O2S/c1-21(19,20)18-8-6-17(7-9-18)14-4-5-16-13-10-11(15)2-3-12(13)14/h2-5,10H,6-9H2,1H3 |
| InChIKey | IYTUJCPWVORWDU-UHFFFAOYSA-N |
| Mol Weight | 325.81 g/mol |
| Molecular Formula | C14H16ClN3O2S |
| Exact Mass | 325.065176 g/mol |
13C Nuclear Magnetic Resonance (NMR) Chemical Shifts
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| SpectraBase Spectrum ID | HWK99rU71lc |
|---|---|
| Name | Quinoline, 7-chloro-4-[4-(methylsulfonyl)-1-piperazinyl]- |
| Comments | Computed using HOSE algorithm |
| Copyright | Copyright © 2024-2025 John Wiley & Sons, Inc. All Rights Reserved. |
| Exact Mass | 325.065175639 u |
| Formula | C14H16ClN3O2S |
| InChI | InChI=1S/C14H16ClN3O2S/c1-21(19,20)18-8-6-17(7-9-18)14-4-5-16-13-10-11(15)2-3-12(13)14/h2-5,10H,6-9H2,1H3 |
| InChIKey | IYTUJCPWVORWDU-UHFFFAOYSA-N |
| Molecular Weight | 325.814 g/mol |
| SMILES | C1=C(C=C2C(=C1)C(=CC=N2)N1CCN(S(C)(=O)=O)CC1)Cl |