| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C12H8N4O6S/c13-23(21,22)8-3-1-2-5-9(8)7(16(19)20)4-6-10(5)15-12(18)11(17)14-6/h1-4H,(H,14,17)(H,15,18)(H2,13,21,22) |
| InChIKey | InChI | 1.03 | UQNAFPHGVPVTAL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1cccc2c3NC(=O)C(=O)Nc3cc(c12)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1cccc2c3NC(=O)C(=O)Nc3cc(c12)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc2c(c(c1)S(=O)(=O)N)c(cc3c2NC(=O)C(=O)N3)[N+](=O)[O-] |
