Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | Fc3ccc(Oc1ncc2c(n1)nnc2NC(C)CS(=O)(=O)C)c(F)c3 |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](C[S](C)(=O)=O)Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12 |
SMILES | CACTVS | 3.341 | C[CH](C[S](C)(=O)=O)Nc1n[nH]c2nc(Oc3ccc(F)cc3F)ncc12 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CS(=O)(=O)C)Nc1c2cnc(nc2[nH]n1)Oc3ccc(cc3F)F |
InChI | InChI | 1.03 | InChI=1S/C15H15F2N5O3S/c1-8(7-26(2,23)24)19-13-10-6-18-15(20-14(10)22-21-13)25-12-4-3-9(16)5-11(12)17/h3-6,8H,7H2,1-2H3,(H2,18,19,20,21,22)/t8-/m0/s1 |
InChIKey | InChI | 1.03 | BIWWSRSPBBUSCN-QMMMGPOBSA-N |