種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)F)cc1 |
SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)F |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(=O)(=O)N |
SMILES | OpenEye OEToolkits | 1.7.2 | c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(=O)(=O)N |
InChI | InChI | 1.03 | InChI=1S/C10H9F5N2O3S/c11-9(12,10(13,14)15)5-17-8(18)6-1-3-7(4-2-6)21(16,19)20/h1-4H,5H2,(H,17,18)(H2,16,19,20) |
InChIKey | InChI | 1.03 | XRWFNUPDTKOWTL-UHFFFAOYSA-N |