Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FS(=O)(=O)c3ccc(Br)c(c1nnc(o1)c2cc(Cl)c(O)c(Cl)c2)c3 |
InChI | InChI | 1.03 | InChI=1S/C14H6BrCl2FN2O4S/c15-9-2-1-7(25(18,22)23)5-8(9)14-20-19-13(24-14)6-3-10(16)12(21)11(17)4-6/h1-5,21H |
InChIKey | InChI | 1.03 | KMBWJLSUKYOSGS-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1c(Cl)cc(cc1Cl)c2oc(nn2)c3cc(ccc3Br)[S](F)(=O)=O |
SMILES | CACTVS | 3.370 | Oc1c(Cl)cc(cc1Cl)c2oc(nn2)c3cc(ccc3Br)[S](F)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)Br |
SMILES | OpenEye OEToolkits | 1.7.6 | c1cc(c(cc1S(=O)(=O)F)c2nnc(o2)c3cc(c(c(c3)Cl)O)Cl)Br |