Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FS(=O)(=O)c3cccc(c1nnc(o1)c2cc(Cl)c(O)c(Cl)c2)c3 |
InChI | InChI | 1.03 | InChI=1S/C14H7Cl2FN2O4S/c15-10-5-8(6-11(16)12(10)20)14-19-18-13(23-14)7-2-1-3-9(4-7)24(17,21)22/h1-6,20H |
InChIKey | InChI | 1.03 | QNTFSMWZVMUNMD-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1c(Cl)cc(cc1Cl)c2oc(nn2)c3cccc(c3)[S](F)(=O)=O |
SMILES | CACTVS | 3.370 | Oc1c(Cl)cc(cc1Cl)c2oc(nn2)c3cccc(c3)[S](F)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(cc(c1)S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl |