Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | C1CC(CC1)n3cc(NS(c2cc(cc(c2O)Cl)Br)(=O)=O)nc3 |
InChI | InChI | 1.03 | InChI=1S/C14H15BrClN3O3S/c15-9-5-11(16)14(20)12(6-9)23(21,22)18-13-7-19(8-17-13)10-3-1-2-4-10/h5-8,10,18,20H,1-4H2 |
InChIKey | InChI | 1.03 | RWBIWQQGKHMDCL-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(Cl)cc(Br)cc1[S](=O)(=O)Nc2cn(cn2)C3CCCC3 |
SMILES | CACTVS | 3.385 | Oc1c(Cl)cc(Br)cc1[S](=O)(=O)Nc2cn(cn2)C3CCCC3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | c1c(cc(c(c1S(=O)(=O)Nc2cn(cn2)C3CCCC3)O)Cl)Br |