種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C(=O)(c1c(c(cc(c1)OCCC)C)F)NNS(c2ccccc2)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C17H19FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-8,10-11,20H,3,9H2,1-2H3,(H,19,21) |
InChIKey | InChI | 1.03 | GOFZTZBCDBZRIA-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CCCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2 |
SMILES | CACTVS | 3.385 | CCCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C |
SMILES | OpenEye OEToolkits | 2.0.7 | CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C |