| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | Cn1ncc2cncc(NC(=O)C3CN(Cc4ccc(Cl)cc43)S(=O)(=O)CC3(C#N)CC3)c12 |
| InChI | InChI | 1.06 | InChI=1S/C22H21ClN6O3S/c1-28-20-15(8-26-28)7-25-9-19(20)27-21(30)18-11-29(10-14-2-3-16(23)6-17(14)18)33(31,32)13-22(12-24)4-5-22/h2-3,6-9,18H,4-5,10-11,13H2,1H3,(H,27,30)/t18-/m1/s1 |
| InChIKey | InChI | 1.06 | ZFCGSGJZJHDJGS-GOSISDBHSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | Cn1ncc2cncc(NC(=O)[C@@H]3CN(Cc4ccc(Cl)cc34)[S](=O)(=O)CC5(CC5)C#N)c12 |
| SMILES | CACTVS | 3.385 | Cn1ncc2cncc(NC(=O)[CH]3CN(Cc4ccc(Cl)cc34)[S](=O)(=O)CC5(CC5)C#N)c12 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cn1c2c(cncc2NC(=O)[C@@H]3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)cn1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | Cn1c2c(cncc2NC(=O)C3CN(Cc4c3cc(cc4)Cl)S(=O)(=O)CC5(CC5)C#N)cn1 |
