A1IBE
Summary
| Name: | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide |
| Formula: | C9 H13 F N2 O3 S |
| Formal charge: | 0 |
| Formula weight: | 248.275 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(2~{S})-3-azanyl-2-oxidanyl-propyl]-2-fluoranyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H13FN2O3S/c10-8-3-1-2-4-9(8)16(14,15)12-6-7(13)5-11/h1-4,7,12-13H,5-6,11H2/t7-/m0/s1 |
| InChIKey | InChI | 1.06 | XRJZVFBXOJFVLU-ZETCQYMHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | NC[C@H](O)CN[S](=O)(=O)c1ccccc1F |
| SMILES | CACTVS | 3.385 | NC[CH](O)CN[S](=O)(=O)c1ccccc1F |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)F)S(=O)(=O)NC[C@H](CN)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)F)S(=O)(=O)NCC(CN)O |
