| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | C1=CC(NC(N1CC(Nc2ccc(cc2)S(N)(=O)=O)=O)=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C12H12N4O5S/c13-22(20,21)9-3-1-8(2-4-9)14-11(18)7-16-6-5-10(17)15-12(16)19/h1-6H,7H2,(H,14,18)(H2,13,20,21)(H,15,17,19) |
| InChIKey | InChI | 1.03 | FIFNUJTXJIFDBS-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=O)CN2C=CC(=O)NC2=O)cc1 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1ccc(NC(=O)CN2C=CC(=O)NC2=O)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC(=O)CN2C=CC(=O)NC2=O)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1NC(=O)CN2C=CC(=O)NC2=O)S(=O)(=O)N |
