| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCS(=O)(=O)c1ccc(Nc2ncc3C=C(Cl)C(=O)N(c3n2)C2CCCC2)c(C)c1 |
| InChI | InChI | 1.06 | InChI=1S/C21H23ClN4O3S/c1-3-30(28,29)16-8-9-18(13(2)10-16)24-21-23-12-14-11-17(22)20(27)26(19(14)25-21)15-6-4-5-7-15/h8-12,15H,3-7H2,1-2H3,(H,23,24,25) |
| InChIKey | InChI | 1.06 | KTADOXGSNAXMOO-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)c1ccc(Nc2ncc3C=C(Cl)C(=O)N(C4CCCC4)c3n2)c(C)c1 |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)c1ccc(Nc2ncc3C=C(Cl)C(=O)N(C4CCCC4)c3n2)c(C)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)c1ccc(c(c1)C)Nc2ncc3c(n2)N(C(=O)C(=C3)Cl)C4CCCC4 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)c1ccc(c(c1)C)Nc2ncc3c(n2)N(C(=O)C(=C3)Cl)C4CCCC4 |
