種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c2(cc1ccccc1cc2)S(NNC(c3c(c(C)ccc3)F)=O)(=O)=O |
InChI | InChI | 1.03 | InChI=1S/C18H15FN2O3S/c1-12-5-4-8-16(17(12)19)18(22)20-21-25(23,24)15-10-9-13-6-2-3-7-14(13)11-15/h2-11,21H,1H3,(H,20,22) |
InChIKey | InChI | 1.03 | DILVLVXPRQTRMP-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Cc1cccc(C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2)c1F |
SMILES | CACTVS | 3.385 | Cc1cccc(C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2)c1F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2 |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1cccc(c1F)C(=O)NNS(=O)(=O)c2ccc3ccccc3c2 |