| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c2c(cc(c1nnnn1)cc2)C(F)(F)F)NCB(O)O |
| InChI | InChI | 1.03 | InChI=1S/C9H9BF3N5O4S/c11-9(12,13)6-3-5(8-15-17-18-16-8)1-2-7(6)23(21,22)14-4-10(19)20/h1-3,14,19-20H,4H2,(H,15,16,17,18) |
| InChIKey | InChI | 1.03 | KJEUORQIESDSSV-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | OB(O)CN[S](=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2 |
| SMILES | CACTVS | 3.370 | OB(O)CN[S](=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)O |
| SMILES | OpenEye OEToolkits | 1.7.6 | B(CNS(=O)(=O)c1ccc(cc1C(F)(F)F)c2[nH]nnn2)(O)O |
