種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.03 | InChI=1S/C29H26F2N4O5S/c1-3-41(37,38)34-18-8-10-24(39-25-9-7-17(30)11-22(25)31)19(12-18)21-15-35(2)29(36)20-13-26(40-27(20)21)23-14-32-28(33-23)16-5-4-6-16/h7-16,34H,3-6H2,1-2H3,(H,32,33) |
InChIKey | InChI | 1.03 | JYMKZGYVLHFTMM-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5[nH]c(nc5)C6CCC6 |
SMILES | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5[nH]c(nc5)C6CCC6 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2oc(c3)c4cnc([nH]4)C5CCC5)C)Oc6ccc(cc6F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2oc(c3)c4cnc([nH]4)C5CCC5)C)Oc6ccc(cc6F)F |