| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(=O)(c1cccc2cnccc21)N1CCN(CC1)C(=O)c1cccc(c1)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C20H18N4O5S/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 |
| InChIKey | InChI | 1.06 | DRMWUBAIUNPOBH-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 | 3.1.0.0 | c1cc(cc(c1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4 |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(cc(c1)[N+](=O)[O-])C(=O)N2CCN(CC2)S(=O)(=O)c3cccc4c3ccnc4 |
