種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | c1c(cccc1)c2ccc(F)c(c2)C(NNS(=O)(c3ccccc3)=O)=O |
InChI | InChI | 1.03 | InChI=1S/C19H15FN2O3S/c20-18-12-11-15(14-7-3-1-4-8-14)13-17(18)19(23)21-22-26(24,25)16-9-5-2-6-10-16/h1-13,22H,(H,21,23) |
InChIKey | InChI | 1.03 | MRSZFKKARPPDOC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Fc1ccc(cc1C(=O)NN[S](=O)(=O)c2ccccc2)c3ccccc3 |
SMILES | CACTVS | 3.385 | Fc1ccc(cc1C(=O)NN[S](=O)(=O)c2ccccc2)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)c2ccc(c(c2)C(=O)NNS(=O)(=O)c3ccccc3)F |