Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C13H6F5N4O8S/c14-6-7(15)9(17)11(10(18)8(6)16)20-13(24)19-4-1-3(31(29,30)22(27)28)2-5(12(4)23)21(25)26/h1-2,23H,(H,27,28)(H2,19,20,24) |
InChIKey | InChI | 1.03 | OTJPTVGRVTVHBI-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc(cc1[N](=O)=O)[S](=O)(=O)[N](O)=O |
SMILES | CACTVS | 3.385 | Oc1c(NC(=O)Nc2c(F)c(F)c(F)c(F)c2F)cc(cc1[N](=O)=O)[S](=O)(=O)[N](O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)N(=O)=O)S(=O)(=O)[N](=O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | c1c(cc(c(c1NC(=O)Nc2c(c(c(c(c2F)F)F)F)F)O)N(=O)=O)S(=O)(=O)[N](=O)O |