| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c2ccc(NC(=O)Nc1cccc([N+]([O-])=O)c1)cc2 |
| SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1 |
| SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(NC(=O)Nc2cccc(c2)[N+]([O-])=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)[N+](=O)[O-])NC(=O)Nc2ccc(cc2)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(cc(c1)[N+](=O)[O-])NC(=O)Nc2ccc(cc2)S(=O)(=O)N |
| InChI | InChI | 1.03 | InChI=1S/C13H12N4O5S/c14-23(21,22)12-6-4-9(5-7-12)15-13(18)16-10-2-1-3-11(8-10)17(19)20/h1-8H,(H2,14,21,22)(H2,15,16,18) |
| InChIKey | InChI | 1.03 | MTGVDZIMBQRGPD-UHFFFAOYSA-N |
