| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | c3ccnc(c2cc(C(=O)NNS(c1ccccc1)(=O)=O)c(c(C)c2)F)n3 |
| InChI | InChI | 1.03 | InChI=1S/C18H15FN4O3S/c1-12-10-13(17-20-8-5-9-21-17)11-15(16(12)19)18(24)22-23-27(25,26)14-6-3-2-4-7-14/h2-11,23H,1H3,(H,22,24) |
| InChIKey | InChI | 1.03 | ZEILGPBOAJFIRQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ncccn3 |
| SMILES | CACTVS | 3.385 | Cc1cc(cc(C(=O)NN[S](=O)(=O)c2ccccc2)c1F)c3ncccn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)c3ncccn3 |
