| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | c3(NS(c1cc(cc(c1O)Cl)Br)(=O)=O)c(c(C(NC)=O)cc(C2(CCC2)C#N)c3)O |
| InChI | InChI | 1.03 | InChI=1S/C19H17BrClN3O5S/c1-23-18(27)12-5-10(19(9-22)3-2-4-19)6-14(16(12)25)24-30(28,29)15-8-11(20)7-13(21)17(15)26/h5-8,24-26H,2-4H2,1H3,(H,23,27) |
| InChIKey | InChI | 1.03 | COYGYHFILXAMSQ-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CNC(=O)c1cc(cc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)c1O)C3(CCC3)C#N |
| SMILES | CACTVS | 3.385 | CNC(=O)c1cc(cc(N[S](=O)(=O)c2cc(Br)cc(Cl)c2O)c1O)C3(CCC3)C#N |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cc(cc(c1O)NS(=O)(=O)c2cc(cc(c2O)Cl)Br)C3(CCC3)C#N |
| SMILES | OpenEye OEToolkits | 2.0.7 | CNC(=O)c1cc(cc(c1O)NS(=O)(=O)c2cc(cc(c2O)Cl)Br)C3(CCC3)C#N |
