A1JEW
Summary
| Name: | ~{N}-[(3~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-4-methyl-benzenesulfonamide |
| Formula: | C12 H17 N O5 S |
| Formal charge: | 0 |
| Formula weight: | 287.332 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[(3~{R},4~{S},5~{R})-5-(hydroxymethyl)-4-oxidanyl-oxolan-3-yl]-4-methyl-benzenesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H17NO5S/c1-8-2-4-9(5-3-8)19(16,17)13-10-7-18-11(6-14)12(10)15/h2-5,10-15H,6-7H2,1H3/t10-,11+,12+/m1/s1 |
| InChIKey | InChI | 1.06 | KNXLYBHKYGGURU-WOPDTQHZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)N[C@@H]2CO[C@H](CO)[C@H]2O |
| SMILES | CACTVS | 3.385 | Cc1ccc(cc1)[S](=O)(=O)N[CH]2CO[CH](CO)[CH]2O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)N[C@@H]2CO[C@@H]([C@H]2O)CO |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1ccc(cc1)S(=O)(=O)NC2COC(C2O)CO |
