種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(N(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)C)c2ccccc2 |
InChI | InChI | 1.03 | InChI=1S/C16H13F6NO3S/c1-23(27(25,26)13-5-3-2-4-6-13)12-9-7-11(8-10-12)14(24,15(17,18)19)16(20,21)22/h2-10,24H,1H3 |
InChIKey | InChI | 1.03 | CNVKZYLQZYULJV-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.370 | CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c2ccccc2 |
SMILES | CACTVS | 3.370 | CN(c1ccc(cc1)C(O)(C(F)(F)F)C(F)(F)F)[S](=O)(=O)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.6 | CN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c2ccccc2 |
SMILES | OpenEye OEToolkits | 1.7.6 | CN(c1ccc(cc1)C(C(F)(F)F)(C(F)(F)F)O)S(=O)(=O)c2ccccc2 |