| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | C(N1CCN(CC1)S(c2cccc3c2ccnc3)(=O)=O)(c4cccc([N+](O)=O)c4)=O |
| InChI | InChI | 1.03 | InChI=1S/C20H19N4O5S/c25-20(15-3-1-5-17(13-15)24(26)27)22-9-11-23(12-10-22)30(28,29)19-6-2-4-16-14-21-8-7-18(16)19/h1-8,13-14H,9-12H2,(H,26,27)/q+1 |
| InChIKey | InChI | 1.03 | JQYQEKDPLZLZII-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | O[N+](=O)c1cccc(c1)C(=O)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34 |
| SMILES | CACTVS | 3.385 | O[N+](=O)c1cccc(c1)C(=O)N2CCN(CC2)[S](=O)(=O)c3cccc4cnccc34 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)[N+](=O)O)C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4 |
| SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(cc(c1)[N+](=O)O)C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4 |
