| 種別 | プログラム | バージョン | 表記 |
| SMILES | ACDLabs | 12.01 | Ic1cc(nc(n1)NC(=O)NS(=O)(c2ccccc2C(OC)=O)=O)OC |
| InChI | InChI | 1.03 | InChI=1S/C14H13IN4O6S/c1-24-11-7-10(15)16-13(17-11)18-14(21)19-26(22,23)9-6-4-3-5-8(9)12(20)25-2/h3-7H,1-2H3,(H2,16,17,18,19,21) |
| InChIKey | InChI | 1.03 | BVAUTKRGQQEKQM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(I)cc(OC)n2 |
| SMILES | CACTVS | 3.385 | COC(=O)c1ccccc1[S](=O)(=O)NC(=O)Nc2nc(I)cc(OC)n2 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)I |
| SMILES | OpenEye OEToolkits | 2.0.6 | COc1cc(nc(n1)NC(=O)NS(=O)(=O)c2ccccc2C(=O)OC)I |
