Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1c(Br)ccc(c1S(Nc2cc(ccc2O)Cl)(=O)=O)OC |
InChI | InChI | 1.03 | InChI=1S/C13H11BrClNO4S/c1-20-12-5-2-8(14)6-13(12)21(18,19)16-10-7-9(15)3-4-11(10)17/h2-7,16-17H,1H3 |
InChIKey | InChI | 1.03 | UQWYDZCIYINORK-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Br)cc1[S](=O)(=O)Nc2cc(Cl)ccc2O |
SMILES | CACTVS | 3.385 | COc1ccc(Br)cc1[S](=O)(=O)Nc2cc(Cl)ccc2O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)Cl)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)Cl)Br |