| Type | Program | Version | Descriptor |
| InChI | InChI | 1.03 | InChI=1S/C28H28N6O3S/c1-32-12-14-34(15-13-32)38(36,37)25-9-5-4-8-22(25)19-10-11-24-23(16-19)26(31-28(29)30-24)27(35)33-17-20-6-2-3-7-21(20)18-33/h2-11,16H,12-15,17-18H2,1H3,(H2,29,30,31) |
| InChIKey | InChI | 1.03 | XSLSHMZZJCYUEM-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CN1CCN(CC1)[S](=O)(=O)c2ccccc2c3ccc4nc(N)nc(C(=O)N5Cc6ccccc6C5)c4c3 |
| SMILES | CACTVS | 3.385 | CN1CCN(CC1)[S](=O)(=O)c2ccccc2c3ccc4nc(N)nc(C(=O)N5Cc6ccccc6C5)c4c3 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)S(=O)(=O)c2ccccc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5 |
| SMILES | OpenEye OEToolkits | 2.0.6 | CN1CCN(CC1)S(=O)(=O)c2ccccc2c3ccc4c(c3)c(nc(n4)N)C(=O)N5Cc6ccccc6C5 |
