Type | Program | Version | Descriptor |
InChI | InChI | 1.06 | InChI=1S/C20H15ClN2O5S/c21-14-8-10-15(11-9-14)22-19(24)13-4-3-5-16(12-13)29(27,28)23-18-7-2-1-6-17(18)20(25)26/h1-12,23H,(H,22,24)(H,25,26) |
InChIKey | InChI | 1.06 | VFTDTUYAXCTQQQ-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)c1ccccc1N[S](=O)(=O)c2cccc(c2)C(=O)Nc3ccc(Cl)cc3 |
SMILES | CACTVS | 3.385 | OC(=O)c1ccccc1N[S](=O)(=O)c2cccc(c2)C(=O)Nc3ccc(Cl)cc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2cccc(c2)C(=O)Nc3ccc(cc3)Cl |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(c(c1)C(=O)O)NS(=O)(=O)c2cccc(c2)C(=O)Nc3ccc(cc3)Cl |