| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | OCc1ccc(cc1)c1ccnc(c1c1n[NH]nn1)S(N)(=O)=O |
| InChI | InChI | 1.03 | InChI=1S/C13H12N6O3S/c14-23(21,22)13-11(12-16-18-19-17-12)10(5-6-15-13)9-3-1-8(7-20)2-4-9/h1-6,20H,7H2,(H2,14,21,22)(H,16,17,18,19) |
| InChIKey | InChI | 1.03 | ZLLPEJMJTQBWDI-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1nccc(c2ccc(CO)cc2)c1c3n[nH]nn3 |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1nccc(c2ccc(CO)cc2)c1c3n[nH]nn3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CO)c2ccnc(c2c3n[nH]nn3)S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(ccc1CO)c2ccnc(c2c3n[nH]nn3)S(=O)(=O)N |
