種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 11.02 | O=C(O)Cn1c4ccc(OC)cc4cc1C(=O)NS(=O)(=O)c3oc2ccccc2c3 |
SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3oc4ccccc4c3 |
SMILES | CACTVS | 3.352 | COc1ccc2n(CC(O)=O)c(cc2c1)C(=O)N[S](=O)(=O)c3oc4ccccc4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3cc4ccccc4o3 |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1ccc2c(c1)cc(n2CC(=O)O)C(=O)NS(=O)(=O)c3cc4ccccc4o3 |
InChI | InChI | 1.03 | InChI=1S/C20H16N2O7S/c1-28-14-6-7-15-13(8-14)9-16(22(15)11-18(23)24)20(25)21-30(26,27)19-10-12-4-2-3-5-17(12)29-19/h2-10H,11H2,1H3,(H,21,25)(H,23,24) |
InChIKey | InChI | 1.03 | XOSVMFKSAWOSMH-UHFFFAOYSA-N |