| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(cc1)CCNc2ncnc(Cl)c2[N+]([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(CCNc2ncnc(Cl)c2[N+]([O-])=O)cc1 |
| SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(CCNc2ncnc(Cl)c2[N+]([O-])=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CCNc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1CCNc2c(c(ncn2)Cl)[N+](=O)[O-])S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C12H12ClN5O4S/c13-11-10(18(19)20)12(17-7-16-11)15-6-5-8-1-3-9(4-2-8)23(14,21)22/h1-4,7H,5-6H2,(H2,14,21,22)(H,15,16,17) |
| InChIKey | InChI | 1.03 | XPZIHQXLSDNLNB-UHFFFAOYSA-N |
