| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=C(Nc1nc(ccn1)C)NS(=O)(=O)c2ccccc2[N+]([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.341 | Cc1ccnc(NC(=O)N[S](=O)(=O)c2ccccc2[N+]([O-])=O)n1 |
| SMILES | CACTVS | 3.341 | Cc1ccnc(NC(=O)N[S](=O)(=O)c2ccccc2[N+]([O-])=O)n1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.5.0 | Cc1ccnc(n1)NC(=O)NS(=O)(=O)c2ccccc2[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C12H11N5O5S/c1-8-6-7-13-11(14-8)15-12(18)16-23(21,22)10-5-3-2-4-9(10)17(19)20/h2-7H,1H3,(H2,13,14,15,16,18) |
| InChIKey | InChI | 1.03 | DPIRXVCCFDCYGI-UHFFFAOYSA-N |
