Base information
| Cat. No. | |
| CAS No. | 207612-93-9 |
| Product Name | |
| MDL. |
Computed Properties
| Property Name | Property Value |
| Molecular Formula | C17H20N2O9S |
| Molecular Weight | 428.414 |
| Exact Mass | 428.089 |
| XLogP3 | 0.643 |
| Mr | 102.513 |
| PSA | 177.97 |
| Sequence | - |
| Atom number | 49 |
| Bond number | 49 |
| Ring number | 2 |
| Rotor number | 8 |
| Residues number | 0 |
| Canonical smiles | Cc1ccc(cc1)S(=O)(=O)O.OC(=O)CN(CC(=O)O)CCN1C(=O)C=CC1=O |
