種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(CC)N1CCCC(C1)C(=O)Nc1ccc(OC(F)(F)F)cc1 |
InChI | InChI | 1.06 | InChI=1S/C15H19F3N2O4S/c1-2-25(22,23)20-9-3-4-11(10-20)14(21)19-12-5-7-13(8-6-12)24-15(16,17)18/h5-8,11H,2-4,9-10H2,1H3,(H,19,21)/t11-/m1/s1 |
InChIKey | InChI | 1.06 | BPAOPEQELJCSLA-LLVKDONJSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)N1CCC[C@H](C1)C(=O)Nc2ccc(OC(F)(F)F)cc2 |
SMILES | CACTVS | 3.385 | CC[S](=O)(=O)N1CCC[CH](C1)C(=O)Nc2ccc(OC(F)(F)F)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)N1CCC[C@H](C1)C(=O)Nc2ccc(cc2)OC(F)(F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)N1CCCC(C1)C(=O)Nc2ccc(cc2)OC(F)(F)F |