Molecule
![Molecular Image]()
13C nuclear magnetic resonance spectroscopy (13C NMR)
19F nuclear magnetic resonance spectroscopy (19F NMR)
1H nuclear magnetic resonance spectroscopy (1H NMR)
attenuated total reflectance Fourier transform infrared spectroscopy (ATR-FTIR)
mass spectrometry (MS)
(3S,4R)-3-(1,3-benzodioxol-5-yloxymethyl)-4-(4-fluorophenyl)-1-[(E)-2-phenylethenyl]sulfonylpiperidine
Chemical Information
| InChI | InChI=1S/C27H26FNO5S/c28-23-8-6-21(7-9-23)25-12-14-29(35(30,31)15-13-20-4-2-1-3-5-20)17-22(25)18-32-24-10-11-26-27(16-24)34-19-33-26/h1-11,13,15-16,22,25H,12,14,17-19H2/b15-13+/t22-,25-/m0/s1 |
|---|---|
| SMILES | Fc1ccc(cc1)[C@@H]1CCN(C[C@H]1COc1ccc2c(c1)OCO2)S(=O)(=O)/C=C/c1ccccc1 |
| InChI Key | LPWHFWMTRKYSIY-XEJDZBDASA-N |
| Exact Mass | 495.562 g/mol |
5 Related Dataset(s)
⌄
Metadata Information
| Field | Value |
|---|---|
| NFDI4Chem Molecule ID | nfdi4chem-mol5373 |
| Source | |
| Alternate Name |
| Field | Value |
|---|---|
| No additional information available for this Dataset. | |
| Data-Source Molecule ID | Data-Source |
|---|---|
| 176491956 | pubchem |
| The data in this table is sourced from UniChem at EBI. | |