Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S(=O)(Nc3cc(c2c1ccccc1ccc2O)c(O)cc3)c4sccc4 |
SMILES_CANONICAL | CACTVS | 3.370 | Oc1ccc(N[S](=O)(=O)c2sccc2)cc1c3c(O)ccc4ccccc34 |
SMILES | CACTVS | 3.370 | Oc1ccc(N[S](=O)(=O)c2sccc2)cc1c3c(O)ccc4ccccc34 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O |
SMILES | OpenEye OEToolkits | 1.7.0 | c1ccc2c(c1)ccc(c2c3cc(ccc3O)NS(=O)(=O)c4cccs4)O |
InChI | InChI | 1.03 | InChI=1S/C20H15NO4S2/c22-17-10-8-14(21-27(24,25)19-6-3-11-26-19)12-16(17)20-15-5-2-1-4-13(15)7-9-18(20)23/h1-12,21-23H |
InChIKey | InChI | 1.03 | NYXDSXZBPWSAFA-UHFFFAOYSA-N |