| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | Clc2ccc1cc(ccc1c2)S(=O)(=O)N5CC(C(=O)OCC)N(CC4CCN(c3ccncc3)CC4)CC5 |
| SMILES_CANONICAL | CACTVS | 3.341 | CCOC(=O)[C@H]1CN(CCN1CC2CCN(CC2)c3ccncc3)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4 |
| SMILES | CACTVS | 3.341 | CCOC(=O)[CH]1CN(CCN1CC2CCN(CC2)c3ccncc3)[S](=O)(=O)c4ccc5cc(Cl)ccc5c4 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | CCOC(=O)[C@H]1C[N@](CC[N@@]1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | CCOC(=O)C1CN(CCN1CC2CCN(CC2)c3ccncc3)S(=O)(=O)c4ccc5cc(ccc5c4)Cl |
| InChI | InChI | 1.03 | InChI=1S/C28H33ClN4O4S/c1-2-37-28(34)27-20-33(38(35,36)26-6-4-22-17-24(29)5-3-23(22)18-26)16-15-32(27)19-21-9-13-31(14-10-21)25-7-11-30-12-8-25/h3-8,11-12,17-18,21,27H,2,9-10,13-16,19-20H2,1H3/t27-/m1/s1 |
| InChIKey | InChI | 1.03 | KTOZABIXRDAUJO-HHHXNRCGSA-N |
