BSF
Summary
| Name: | {[(benzylsulfonyl)amino]methyl}boronic acid |
| Formula: | C8 H12 B N O4 S |
| Formal charge: | 0 |
| Formula weight: | 229.061 Da |
| Component type: | NON-POLYMER |
Chemical Identifiers
| Program | Version | Name |
| ACDLabs | 12.01 | {[(benzylsulfonyl)amino]methyl}boronic acid |
| OpenEye OEToolkits | 1.7.0 | (phenylmethylsulfonylamino)methylboronic acid |
Chemical Descriptors
| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(NCB(O)O)Cc1ccccc1 |
| SMILES_CANONICAL | CACTVS | 3.370 | OB(O)CN[S](=O)(=O)Cc1ccccc1 |
| SMILES | CACTVS | 3.370 | OB(O)CN[S](=O)(=O)Cc1ccccc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | B(CNS(=O)(=O)Cc1ccccc1)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.0 | B(CNS(=O)(=O)Cc1ccccc1)(O)O |
| InChI | InChI | 1.03 | InChI=1S/C8H12BNO4S/c11-9(12)7-10-15(13,14)6-8-4-2-1-3-5-8/h1-5,10-12H,6-7H2 |
| InChIKey | InChI | 1.03 | TTWWUAQISBIHPB-UHFFFAOYSA-N |
