種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C16H17F3N2O4S2/c1-2-25-15(22)9-14-21-13(10-26-14)11-3-5-12(6-4-11)27(23,24)20-8-7-16(17,18)19/h3-6,10,20H,2,7-9H2,1H3 |
InChIKey | InChI | 1.03 | BOOGQWHJJOHPJE-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F |
SMILES | CACTVS | 3.385 | CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.6 | CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F |