種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | C(=O)(c1ccccc1F)NNS(=O)(=O)c3cc2ccccc2cc3 |
InChI | InChI | 1.03 | InChI=1S/C17H13FN2O3S/c18-16-8-4-3-7-15(16)17(21)19-20-24(22,23)14-10-9-12-5-1-2-6-13(12)11-14/h1-11,20H,(H,19,21) |
InChIKey | InChI | 1.03 | CMGWGSMHPCWLOH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccccc1C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2 |
SMILES | CACTVS | 3.385 | Fc1ccccc1C(=O)NN[S](=O)(=O)c2ccc3ccccc3c2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)S(=O)(=O)NNC(=O)c3ccccc3F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc2cc(ccc2c1)S(=O)(=O)NNC(=O)c3ccccc3F |