種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | O=S(=O)(N)c2ccc(NC(=O)Nc1ccc(F)cc1)cc2 |
SMILES_CANONICAL | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 |
SMILES | CACTVS | 3.370 | N[S](=O)(=O)c1ccc(NC(=O)Nc2ccc(F)cc2)cc1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F |
SMILES | OpenEye OEToolkits | 1.7.0 | c1cc(ccc1NC(=O)Nc2ccc(cc2)S(=O)(=O)N)F |
InChI | InChI | 1.03 | InChI=1S/C13H12FN3O3S/c14-9-1-3-10(4-2-9)16-13(18)17-11-5-7-12(8-6-11)21(15,19)20/h1-8H,(H2,15,19,20)(H2,16,17,18) |
InChIKey | InChI | 1.03 | YJQZNWPYLCNRLP-UHFFFAOYSA-N |