Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | c1(ccc(c(c1)S(Nc3c(ccc(c2ccccc2)c3)O)(=O)=O)OC)Br |
InChI | InChI | 1.03 | InChI=1S/C19H16BrNO4S/c1-25-18-10-8-15(20)12-19(18)26(23,24)21-16-11-14(7-9-17(16)22)13-5-3-2-4-6-13/h2-12,21-22H,1H3 |
InChIKey | InChI | 1.03 | LSOYIZUYLCYRNG-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ccc(Br)cc1[S](=O)(=O)Nc2cc(ccc2O)c3ccccc3 |
SMILES | CACTVS | 3.385 | COc1ccc(Br)cc1[S](=O)(=O)Nc2cc(ccc2O)c3ccccc3 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)c3ccccc3)Br |
SMILES | OpenEye OEToolkits | 2.0.7 | COc1ccc(cc1S(=O)(=O)Nc2cc(ccc2O)c3ccccc3)Br |