種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=N(c1c(ccc(c1)S(C(F)(F)F)(=O)=O)Nc2cc(Cl)cc(c2)F)=O |
InChI | InChI | 1.03 | InChI=1S/C13H7ClF4N2O4S/c14-7-3-8(15)5-9(4-7)19-11-2-1-10(6-12(11)20(21)22)25(23,24)13(16,17)18/h1-6,19H |
InChIKey | InChI | 1.03 | QONODMQQXMILPX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1cc(Cl)cc(Nc2ccc(cc2[N](=O)=O)[S](=O)(=O)C(F)(F)F)c1 |
SMILES | CACTVS | 3.385 | Fc1cc(Cl)cc(Nc2ccc(cc2[N](=O)=O)[S](=O)(=O)C(F)(F)F)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1S(=O)(=O)C(F)(F)F)N(=O)=O)Nc2cc(cc(c2)Cl)F |
SMILES | OpenEye OEToolkits | 2.0.6 | c1cc(c(cc1S(=O)(=O)C(F)(F)F)N(=O)=O)Nc2cc(cc(c2)Cl)F |