Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | Oc1ccc(cc1O)S(=O)(=O)NCc1ccc(cc1)S(=O)(=O)c1cc(O)ccc1 |
InChI | InChI | 1.03 | InChI=1S/C19H17NO7S2/c21-14-2-1-3-16(10-14)28(24,25)15-6-4-13(5-7-15)12-20-29(26,27)17-8-9-18(22)19(23)11-17/h1-11,20-23H,12H2 |
InChIKey | InChI | 1.03 | VUAKJQMZHVAFHX-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | Oc1cccc(c1)[S](=O)(=O)c2ccc(CN[S](=O)(=O)c3ccc(O)c(O)c3)cc2 |
SMILES | CACTVS | 3.385 | Oc1cccc(c1)[S](=O)(=O)c2ccc(CN[S](=O)(=O)c3ccc(O)c(O)c3)cc2 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)O)O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1cc(cc(c1)S(=O)(=O)c2ccc(cc2)CNS(=O)(=O)c3ccc(c(c3)O)O)O |