| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 10.04 | O=S(=O)(NC(C)(C)C)c3ccc(c1cc2c(cc1)nnc2N)cc3 |
| SMILES_CANONICAL | CACTVS | 3.341 | CC(C)(C)N[S](=O)(=O)c1ccc(cc1)c2ccc3[nH]nc(N)c3c2 |
| SMILES | CACTVS | 3.341 | CC(C)(C)N[S](=O)(=O)c1ccc(cc1)c2ccc3[nH]nc(N)c3c2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N |
| SMILES | OpenEye OEToolkits | 1.5.0 | CC(C)(C)NS(=O)(=O)c1ccc(cc1)c2ccc3c(c2)c(n[nH]3)N |
| InChI | InChI | 1.03 | InChI=1S/C17H20N4O2S/c1-17(2,3)21-24(22,23)13-7-4-11(5-8-13)12-6-9-15-14(10-12)16(18)20-19-15/h4-10,21H,1-3H3,(H3,18,19,20) |
| InChIKey | InChI | 1.03 | KFJCXIOVAGJCKB-UHFFFAOYSA-N |
