| SpectraBase Spectrum ID |
9iGMZ8oXO2m |
| Name |
trans-6-(3-Chloropropyl)-4-(phenylthio)-5-(tosylamino)-5,6-dihydropyran-2-one |
| Alternate Name(s) |
N-((2S,3S)-2-(3-chloropropyl)-6-oxo-4-(phenylthio)-3,6-dihydro-2H-pyran-3-yl)-4-methylbenzenesulfonamide |
| Copyright |
Copyright © 2020-2024 John Wiley & Sons, Inc. All Rights Reserved. |
| Formula |
C21H22ClNO4S2 |
| InChI |
InChI=1S/C21H22ClNO4S2/c1-15-9-11-17(12-10-15)29(25,26)23-21-18(8-5-13-22)27-20(24)14-19(21)28-16-6-3-2-4-7-16/h2-4,6-7,9-12,14,18,21,23H,5,8,13H2,1H3/t18-,21-/m0/s1 |
| InChIKey |
TXJVOJYGDUANFS-RXVVDRJESA-N |
| Molecular Weight |
451.983 g/mol |
| SMILES |
N([C@@]1(C(=CC(O[C@]1(CCCCl)[H])=O)Sc1ccccc1)[H])S(c1ccc(cc1)C)(=O)=O |
| SPLASH |
splash10-014l-9200000000-ad68f1249881a666490f |
| Source of Spectrum |
F-70-1852-6c |
| Wiley ID |
1742680 |
