| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C16H14BrN5O4S/c1-11-3-5-13(22(23)24)7-15(11)27(25,26)20(2)19-9-14-8-18-16-6-4-12(17)10-21(14)16/h3-10H,1-2H3/b19-9+ |
| InChIKey | InChI | 1.03 | QTHCAAFKVUWAFI-DJKKODMXSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN(/N=C/c1cnc2ccc(Br)cn12)[S](=O)(=O)c3cc(ccc3C)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | CN(N=Cc1cnc2ccc(Br)cn12)[S](=O)(=O)c3cc(ccc3C)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1S(=O)(=O)N(C)/N=C/c2cnc3n2cc(cc3)Br)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 2.0.6 | Cc1ccc(cc1S(=O)(=O)N(C)N=Cc2cnc3n2cc(cc3)Br)[N+](=O)[O-] |
