| Type | Program | Version | Descriptor |
| SMILES | ACDLabs | 12.01 | CS(=O)(=O)c1cc(cc(Cl)c1)COC(=O)N1CCC2(CC1)CN(C2)C(=O)c1cc2nn[NH]c2cc1 |
| InChI | InChI | 1.06 | InChI=1S/C23H24ClN5O5S/c1-35(32,33)18-9-15(8-17(24)11-18)12-34-22(31)28-6-4-23(5-7-28)13-29(14-23)21(30)16-2-3-19-20(10-16)26-27-25-19/h2-3,8-11H,4-7,12-14H2,1H3,(H,25,26,27) |
| InChIKey | InChI | 1.06 | KJIYUARBMWVZFP-UHFFFAOYSA-N |
| SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CC2)CN(C3)C(=O)c4ccc5[nH]nnc5c4)c1 |
| SMILES | CACTVS | 3.385 | C[S](=O)(=O)c1cc(Cl)cc(COC(=O)N2CCC3(CC2)CN(C3)C(=O)c4ccc5[nH]nnc5c4)c1 |
| SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1cc(cc(c1)Cl)COC(=O)N2CCC3(CC2)CN(C3)C(=O)c4ccc5c(c4)nn[nH]5 |
| SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)c1cc(cc(c1)Cl)COC(=O)N2CCC3(CC2)CN(C3)C(=O)c4ccc5c(c4)nn[nH]5 |
