Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C21H22F3N5O3S/c1-12(2)18-17-14(10-29(27-17)15-5-4-6-16(7-15)33(3,31)32)9-28(18)20-25-8-13(11-30)19(26-20)21(22,23)24/h4-8,10,12,18,30H,9,11H2,1-3H3/t18-/m1/s1 |
InChIKey | InChI | 1.03 | NCZXBZJVJRJUSC-GOSISDBHSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC(C)[C@H]1N(Cc2cn(nc12)c3cccc(c3)[S](C)(=O)=O)c4ncc(CO)c(n4)C(F)(F)F |
SMILES | CACTVS | 3.385 | CC(C)[CH]1N(Cc2cn(nc12)c3cccc(c3)[S](C)(=O)=O)c4ncc(CO)c(n4)C(F)(F)F |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.5 | CC(C)[C@@H]1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4ncc(c(n4)C(F)(F)F)CO |
SMILES | OpenEye OEToolkits | 2.0.5 | CC(C)C1c2c(cn(n2)c3cccc(c3)S(=O)(=O)C)CN1c4ncc(c(n4)C(F)(F)F)CO |