種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(c2c(F)c(F)c(c(F)c2NCc1ccccc1)S(=O)(=O)N)CCO |
InChI | InChI | 1.03 | InChI=1S/C15H15F3N2O5S2/c16-10-11(17)15(26(22,23)7-6-21)13(12(18)14(10)27(19,24)25)20-8-9-4-2-1-3-5-9/h1-5,20-21H,6-8H2,(H2,19,24,25) |
InChIKey | InChI | 1.03 | OLTMJLATLWYQJF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | N[S](=O)(=O)c1c(F)c(F)c(c(NCc2ccccc2)c1F)[S](=O)(=O)CCO |
SMILES | CACTVS | 3.385 | N[S](=O)(=O)c1c(F)c(F)c(c(NCc2ccccc2)c1F)[S](=O)(=O)CCO |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F |
SMILES | OpenEye OEToolkits | 1.7.6 | c1ccc(cc1)CNc2c(c(c(c(c2S(=O)(=O)CCO)F)F)S(=O)(=O)N)F |