ZJ5
Summary
| Name: | ~{N}-[[(3~{R})-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]methanesulfonamide |
| Formula: | C9 H13 B N O5 S |
| Formal charge: | 0 |
| Formula weight: | 258.079 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[(3~{R})-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]methanesulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C9H13BNO5S/c1-17(14,15)11-6-9-7-4-2-3-5-8(7)10(12,13)16-9/h2-5,9,11-13H,6H2,1H3/t9-/m0/s1 |
| InChIKey | InChI | 1.06 | GHGXSIOIQUNTKP-VIFPVBQESA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)NC[C@@H]1O[B](O)(O)c2ccccc12 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)NC[CH]1O[B](O)(O)c2ccccc12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2[C@@H](O1)CNS(=O)(=O)C)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2C(O1)CNS(=O)(=O)C)(O)O |
