| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | O=S(=O)(c4ccc(c3cc(C(=O)Nc1c(ccnc1)CN2CCCC2)c(nc3)N)cc4)N5CCN(C)CC5 |
| InChI | InChI | 1.03 | InChI=1S/C27H33N7O3S/c1-32-12-14-34(15-13-32)38(36,37)23-6-4-20(5-7-23)22-16-24(26(28)30-17-22)27(35)31-25-18-29-9-8-21(25)19-33-10-2-3-11-33/h4-9,16-18H,2-3,10-15,19H2,1H3,(H2,28,30)(H,31,35) |
| InChIKey | InChI | 1.03 | CWMNDXXSBKRROR-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3cnc(N)c(c3)C(=O)Nc4cnccc4CN5CCCC5 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)[S](=O)(=O)c2ccc(cc2)c3cnc(N)c(c3)C(=O)Nc4cnccc4CN5CCCC5 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cc(c(nc3)N)C(=O)Nc4cnccc4CN5CCCC5 |
| SMILES | OpenEye OEToolkits | 1.9.2 | CN1CCN(CC1)S(=O)(=O)c2ccc(cc2)c3cc(c(nc3)N)C(=O)Nc4cnccc4CN5CCCC5 |
