| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 14.52 | Clc1cc(ccc1OC(C)(C)C(=O)NCCS)[N+]([O-])=O |
| InChI | InChI | 1.06 | InChI=1S/C12H15ClN2O4S/c1-12(2,11(16)14-5-6-20)19-10-4-3-8(15(17)18)7-9(10)13/h3-4,7,20H,5-6H2,1-2H3,(H,14,16) |
| InChIKey | InChI | 1.06 | BGKWYSUOQHOPST-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC(C)(Oc1ccc(cc1Cl)[N+]([O-])=O)C(=O)NCCS |
| SMILES | CACTVS | 3.385 | CC(C)(Oc1ccc(cc1Cl)[N+]([O-])=O)C(=O)NCCS |
| SMILES_CANONICAL | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C(=O)NCCS)Oc1ccc(cc1Cl)[N+](=O)[O-] |
| SMILES | OpenEye OEToolkits | 3.1.0.0 | CC(C)(C(=O)NCCS)Oc1ccc(cc1Cl)[N+](=O)[O-] |
