| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(Cc1cccc(c1)C(=O)O)NC(CC)B(O)O |
| InChI | InChI | 1.03 | InChI=1S/C11H16BNO6S/c1-2-10(12(16)17)13-20(18,19)7-8-4-3-5-9(6-8)11(14)15/h3-6,10,13,16-17H,2,7H2,1H3,(H,14,15)/t10-/m1/s1 |
| InChIKey | InChI | 1.03 | NXMDVDQWQYARKG-SNVBAGLBSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[C@@H](N[S](=O)(=O)Cc1cccc(c1)C(O)=O)B(O)O |
| SMILES | CACTVS | 3.385 | CC[CH](N[S](=O)(=O)Cc1cccc(c1)C(O)=O)B(O)O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | B([C@@H](CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)O |
| SMILES | OpenEye OEToolkits | 2.0.7 | B(C(CC)NS(=O)(=O)Cc1cccc(c1)C(=O)O)(O)O |
