| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(cc1)N/N=C3/c2cc(ccc2NC3=O)C(=O)O |
| InChI | InChI | 1.03 | InChI=1S/C15H12N4O5S/c16-25(23,24)10-4-2-9(3-5-10)18-19-13-11-7-8(15(21)22)1-6-12(11)17-14(13)20/h1-7,18H,(H,21,22)(H2,16,23,24)(H,17,19,20) |
| InChIKey | InChI | 1.03 | JHTDQQNFBRWRSP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(N\N=C2/C(=O)Nc3ccc(cc23)C(O)=O)cc1 |
| SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(NN=C2C(=O)Nc3ccc(cc23)C(O)=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1N/N=C\2/c3cc(ccc3NC2=O)C(=O)O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1NN=C2c3cc(ccc3NC2=O)C(=O)O)S(=O)(=O)N |
