Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C20H22FN5O3S/c1-12(2)18-17-13(10-25(18)19-16(21)9-22-20(23-19)29-3)11-26(24-17)14-6-5-7-15(8-14)30(4,27)28/h5-9,11-12,18H,10H2,1-4H3/t18-/m1/s1 |
InChIKey | InChI | 1.03 | HDDKTNCZLILPNB-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | COc1ncc(F)c(n1)N2Cc3cn(nc3[C@H]2C(C)C)c4cccc(c4)[S](C)(=O)=O |
SMILES | CACTVS | 3.385 | COc1ncc(F)c(n1)N2Cc3cn(nc3[CH]2C(C)C)c4cccc(c4)[S](C)(=O)=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4c(cnc(n4)OC)F |
SMILES | OpenEye OEToolkits | 2.0.5 | CC(C)C1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4c(cnc(n4)OC)F |