A1H7J
Summary
| Name: | ~{N}-[[(3~{R})-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]pyrrolidine-1-sulfonamide |
| Formula: | C12 H18 B N2 O5 S |
| Formal charge: | 0 |
| Formula weight: | 313.158 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[(3~{R})-1,1-bis(oxidanyl)-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]pyrrolidine-1-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H18BN2O5S/c16-13(17)11-6-2-1-5-10(11)12(20-13)9-14-21(18,19)15-7-3-4-8-15/h1-2,5-6,12,14,16-17H,3-4,7-9H2/t12-/m0/s1 |
| InChIKey | InChI | 1.06 | AQWMHRDFDPGTAN-LBPRGKRZSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[B]1(O)O[C@@H](CN[S](=O)(=O)N2CCCC2)c3ccccc13 |
| SMILES | CACTVS | 3.385 | O[B]1(O)O[CH](CN[S](=O)(=O)N2CCCC2)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2[C@@H](O1)CNS(=O)(=O)N3CCCC3)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2C(O1)CNS(=O)(=O)N3CCCC3)(O)O |
