| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | O=S(N)(=O)c1cc(c(O)c(NC(=O)Nc2ccc(cc2)C(F)(F)F)c1)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C14H11F3N4O6S/c15-14(16,17)7-1-3-8(4-2-7)19-13(23)20-10-5-9(28(18,26)27)6-11(12(10)22)21(24)25/h1-6,22H,(H2,18,26,27)(H2,19,20,23) |
| InChIKey | InChI | 1.06 | QAQNAMKVJZAGRL-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c(O)c(c1)[N+]([O-])=O |
| SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1cc(NC(=O)Nc2ccc(cc2)C(F)(F)F)c(O)c(c1)[N+]([O-])=O |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)[N+](=O)[O-])S(=O)(=O)N |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | c1cc(ccc1C(F)(F)F)NC(=O)Nc2cc(cc(c2O)[N+](=O)[O-])S(=O)(=O)N |
