Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C17H18BF3N3O6S/c1-2-31(28,29)24-18(25,26)15-8-14(5-3-11(15)9-22-24)30-16-6-4-13(17(19,20)21)7-12(16)10-23-27/h3-8,10,22,25-27H,2,9H2,1H3/b23-10+ |
InChIKey | InChI | 1.03 | MTDIXAKABVYTBV-AUEPDCJTSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)N1NCc2ccc(Oc3ccc(cc3\C=N\O)C(F)(F)F)cc2[B]1(O)O |
SMILES | CACTVS | 3.385 | CC[S](=O)(=O)N1NCc2ccc(Oc3ccc(cc3C=NO)C(F)(F)F)cc2[B]1(O)O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.6 | B1(c2cc(ccc2CNN1S(=O)(=O)CC)Oc3ccc(cc3/C=N/O)C(F)(F)F)(O)O |
SMILES | OpenEye OEToolkits | 2.0.6 | B1(c2cc(ccc2CNN1S(=O)(=O)CC)Oc3ccc(cc3C=NO)C(F)(F)F)(O)O |