Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(NC3CCN(C(=O)COc2c(Cl)cc(Cl)c1OC(Oc12)(C)C)CC3)CC |
InChI | InChI | 1.03 | InChI=1S/C18H24Cl2N2O6S/c1-4-29(24,25)21-11-5-7-22(8-6-11)14(23)10-26-15-12(19)9-13(20)16-17(15)28-18(2,3)27-16/h9,11,21H,4-8,10H2,1-3H3 |
InChIKey | InChI | 1.03 | HZLWQWJVRYNNLF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)NC1CCN(CC1)C(=O)COc2c(Cl)cc(Cl)c3OC(C)(C)Oc23 |
SMILES | CACTVS | 3.385 | CC[S](=O)(=O)NC1CCN(CC1)C(=O)COc2c(Cl)cc(Cl)c3OC(C)(C)Oc23 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2c(cc(c3c2OC(O3)(C)C)Cl)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | CCS(=O)(=O)NC1CCN(CC1)C(=O)COc2c(cc(c3c2OC(O3)(C)C)Cl)Cl |