| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CCS(=O)(=O)N1CCC2(CCC(C2O)C2c3ccccc3c3cncn32)CC1 |
| InChI | InChI | 1.06 | InChI=1S/C21H27N3O3S/c1-2-28(26,27)23-11-9-21(10-12-23)8-7-17(20(21)25)19-16-6-4-3-5-15(16)18-13-22-14-24(18)19/h3-6,13-14,17,19-20,25H,2,7-12H2,1H3/t17-,19+,20+/m0/s1 |
| InChIKey | InChI | 1.06 | WFTNBEBSRJTXNN-DFQSSKMNSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)N1CCC2(CC[C@H]([C@H]2O)[C@@H]3n4cncc4c5ccccc35)CC1 |
| SMILES | CACTVS | 3.385 | CC[S](=O)(=O)N1CCC2(CC[CH]([CH]2O)[CH]3n4cncc4c5ccccc35)CC1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)N1CCC2(CC[C@H]([C@H]2O)[C@H]3c4ccccc4-c5n3cnc5)CC1 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)N1CCC2(CCC(C2O)C3c4ccccc4-c5n3cnc5)CC1 |
