| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 10.04 | O=S(=O)(c2c1ccncc1ccc2)NCC4NCC(OCc3ccc(Cl)cc3)C4 |
| SMILES_CANONICAL | CACTVS | 3.341 | Clc1ccc(CO[C@H]2CN[C@H](CN[S](=O)(=O)c3cccc4cnccc34)C2)cc1 |
| SMILES | CACTVS | 3.341 | Clc1ccc(CO[CH]2CN[CH](CN[S](=O)(=O)c3cccc4cnccc34)C2)cc1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | c1cc2cnccc2c(c1)S(=O)(=O)NC[C@@H]3C[C@H](CN3)OCc4ccc(cc4)Cl |
| SMILES | OpenEye OEToolkits | 1.5.0 | c1cc2cnccc2c(c1)S(=O)(=O)NCC3CC(CN3)OCc4ccc(cc4)Cl |
| InChI | InChI | 1.03 | InChI=1S/C21H22ClN3O3S/c22-17-6-4-15(5-7-17)14-28-19-10-18(24-13-19)12-25-29(26,27)21-3-1-2-16-11-23-9-8-20(16)21/h1-9,11,18-19,24-25H,10,12-14H2/t18-,19+/m0/s1 |
| InChIKey | InChI | 1.03 | RLNNFNGBXLTQOB-RBUKOAKNSA-N |
