| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(cc1)CNc2ncnc(OC)c2[N+]([O-])=O |
| SMILES_CANONICAL | CACTVS | 3.370 | COc1ncnc(NCc2ccc(cc2)[S](N)(=O)=O)c1[N+]([O-])=O |
| SMILES | CACTVS | 3.370 | COc1ncnc(NCc2ccc(cc2)[S](N)(=O)=O)c1[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1c(c(ncn1)NCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 1.7.0 | COc1c(c(ncn1)NCc2ccc(cc2)S(=O)(=O)N)[N+](=O)[O-] |
| InChI | InChI | 1.03 | InChI=1S/C12H13N5O5S/c1-22-12-10(17(18)19)11(15-7-16-12)14-6-8-2-4-9(5-3-8)23(13,20)21/h2-5,7H,6H2,1H3,(H2,13,20,21)(H,14,15,16) |
| InChIKey | InChI | 1.03 | OZWJHSDFZMDTAH-UHFFFAOYSA-N |
