種別 | プログラム | バージョン | 表記 |
InChI | InChI | 1.06 | InChI=1S/C25H17ClFNO5S/c26-21-13-17(8-11-22(21)27)18-12-20(25(30)31)24(29)23(14-18)28-34(32,33)19-9-6-16(7-10-19)15-4-2-1-3-5-15/h1-14,28-29H,(H,30,31) |
InChIKey | InChI | 1.06 | RNWNKFVHTIUWBB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1O)c4ccc(F)c(Cl)c4 |
SMILES | CACTVS | 3.385 | OC(=O)c1cc(cc(N[S](=O)(=O)c2ccc(cc2)c3ccccc3)c1O)c4ccc(F)c(Cl)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(cc(c3O)C(=O)O)c4ccc(c(c4)Cl)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(cc2)S(=O)(=O)Nc3cc(cc(c3O)C(=O)O)c4ccc(c(c4)Cl)F |