A1H8S
Summary
| Name: | ~{N}-[[(3~{S})-1-oxidanyl-3~{H}-2,1$l^{4}-benzoxaborol-3-yl]methyl]pyrrolidine-1-sulfonamide |
| Formula: | C12 H17 B N2 O4 S |
| Formal charge: | 0 |
| Formula weight: | 296.15 Da |
| Component type: | non-polymer |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.7 | ~{N}-[[(3~{S})-1-oxidanyl-3~{H}-2,1-benzoxaborol-3-yl]methyl]pyrrolidine-1-sulfonamide |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.06 | InChI=1S/C12H17BN2O4S/c16-13-11-6-2-1-5-10(11)12(19-13)9-14-20(17,18)15-7-3-4-8-15/h1-2,5-6,12,14,16H,3-4,7-9H2/t12-/m1/s1 |
| InChIKey | InChI | 1.06 | DWQJFZHIQFZSLW-GFCCVEGCSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB1O[C@H](CN[S](=O)(=O)N2CCCC2)c3ccccc13 |
| SMILES | CACTVS | 3.385 | OB1O[CH](CN[S](=O)(=O)N2CCCC2)c3ccccc13 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2[C@H](O1)CNS(=O)(=O)N3CCCC3)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B1(c2ccccc2C(O1)CNS(=O)(=O)N3CCCC3)O |
