種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | CS(=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C17H14N2O6S/c1-26(22,23)19-13-8-15-12(17(21)14(9-24-15)18-10-20)7-16(13)25-11-5-3-2-4-6-11/h2-10,19H,1H3,(H,18,20) |
InChIKey | InChI | 1.06 | ANMATWQYLIFGOK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | C[S](=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc3ccccc3 |
SMILES | CACTVS | 3.385 | C[S](=O)(=O)Nc1cc2OC=C(NC=O)C(=O)c2cc1Oc3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Nc1cc2c(cc1Oc3ccccc3)C(=O)C(=CO2)NC=O |
SMILES | OpenEye OEToolkits | 2.0.7 | CS(=O)(=O)Nc1cc2c(cc1Oc3ccccc3)C(=O)C(=CO2)NC=O |