Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | FS(=O)(=O)Oc1cc(ccc1c1cccc2c1NC=C(C2=O)C(=O)O)C(=O)NCc1ccccc1 |
InChI | InChI | 1.06 | InChI=1S/C24H17FN2O7S/c25-35(32,33)34-20-11-15(23(29)27-12-14-5-2-1-3-6-14)9-10-16(20)17-7-4-8-18-21(17)26-13-19(22(18)28)24(30)31/h1-11,13H,12H2,(H,26,28)(H,27,29)(H,30,31) |
InChIKey | InChI | 1.06 | OZKSCFDEHDSVKF-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | OC(=O)C1=CNc2c(cccc2c3ccc(cc3O[S](F)(=O)=O)C(=O)NCc4ccccc4)C1=O |
SMILES | CACTVS | 3.385 | OC(=O)C1=CNc2c(cccc2c3ccc(cc3O[S](F)(=O)=O)C(=O)NCc4ccccc4)C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC(=O)c2ccc(c(c2)OS(=O)(=O)F)c3cccc4c3NC=C(C4=O)C(=O)O |
SMILES | OpenEye OEToolkits | 2.0.7 | c1ccc(cc1)CNC(=O)c2ccc(c(c2)OS(=O)(=O)F)c3cccc4c3NC=C(C4=O)C(=O)O |