Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(c1csc(c1)S(=O)(=O)Nc2cccc(B(O)O)c2)c3ccccc3 |
SMILES_CANONICAL | CACTVS | 3.341 | OB(O)c1cccc(N[S](=O)(=O)c2scc(c2)[S](=O)(=O)c3ccccc3)c1 |
SMILES | CACTVS | 3.341 | OB(O)c1cccc(N[S](=O)(=O)c2scc(c2)[S](=O)(=O)c3ccccc3)c1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | B(c1cccc(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)(O)O |
SMILES | OpenEye OEToolkits | 1.5.0 | B(c1cccc(c1)NS(=O)(=O)c2cc(cs2)S(=O)(=O)c3ccccc3)(O)O |
InChI | InChI | 1.03 | InChI=1S/C16H14BNO6S3/c19-17(20)12-5-4-6-13(9-12)18-27(23,24)16-10-15(11-25-16)26(21,22)14-7-2-1-3-8-14/h1-11,18-20H |
InChIKey | InChI | 1.03 | YZOKHYPIQNIFRQ-UHFFFAOYSA-N |