| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c2ccc(c1nc(C(=O)NCCCOC)c(nc1)N)cc2)N3CCN(C)CC3 |
| InChI | InChI | 1.03 | InChI=1S/C20H28N6O4S/c1-25-9-11-26(12-10-25)31(28,29)16-6-4-15(5-7-16)17-14-23-19(21)18(24-17)20(27)22-8-3-13-30-2/h4-7,14H,3,8-13H2,1-2H3,(H2,21,23)(H,22,27) |
| InChIKey | InChI | 1.03 | YVGRIAWEROZMPD-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | COCCCNC(=O)c1nc(cnc1N)c2ccc(cc2)[S](=O)(=O)N3CCN(C)CC3 |
| SMILES | CACTVS | 3.385 | COCCCNC(=O)c1nc(cnc1N)c2ccc(cc2)[S](=O)(=O)N3CCN(C)CC3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCCOC)N |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cnc(c(n3)C(=O)NCCCOC)N |
