| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c1ccc(OC)cc1)Nc3cccnc3Nc2ccc(O)cc2 |
| SMILES_CANONICAL | CACTVS | 3.341 | COc1ccc(cc1)[S](=O)(=O)Nc2cccnc2Nc3ccc(O)cc3 |
| SMILES | CACTVS | 3.341 | COc1ccc(cc1)[S](=O)(=O)Nc2cccnc2Nc3ccc(O)cc3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O |
| SMILES | OpenEye OEToolkits | 1.5.0 | COc1ccc(cc1)S(=O)(=O)Nc2cccnc2Nc3ccc(cc3)O |
| InChI | InChI | 1.03 | InChI=1S/C18H17N3O4S/c1-25-15-8-10-16(11-9-15)26(23,24)21-17-3-2-12-19-18(17)20-13-4-6-14(22)7-5-13/h2-12,21-22H,1H3,(H,19,20) |
| InChIKey | InChI | 1.03 | URCVCIZFVQDVPM-UHFFFAOYSA-N |
