AO8
Summary
| Name: | [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid |
| Formula: | C18 H20 B N3 O4 S |
| Formal charge: | 0 |
| Formula weight: | 385.245 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| OpenEye OEToolkits | 2.0.6 | [2-[[2-(isoquinolin-5-ylsulfonylamino)ethylamino]methyl]phenyl]boronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C18H20BN3O4S/c23-19(24)17-6-2-1-4-15(17)13-21-10-11-22-27(25,26)18-7-3-5-14-12-20-9-8-16(14)18/h1-9,12,21-24H,10-11,13H2 |
| InChIKey | InChI | 1.03 | KGPSPJNLVIXNTL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | OB(O)c1ccccc1CNCCN[S](=O)(=O)c2cccc3cnccc23 |
| SMILES | CACTVS | 3.385 | OB(O)c1ccccc1CNCCN[S](=O)(=O)c2cccc3cnccc23 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B(c1ccccc1CNCCNS(=O)(=O)c2cccc3c2ccnc3)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.6 | B(c1ccccc1CNCCNS(=O)(=O)c2cccc3c2ccnc3)(O)O |
