Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=S(=O)(C)CC(Nc1ncc3c(n1)N(C(=O)C(Oc2ccc(F)cc2F)=C3)C)C |
SMILES_CANONICAL | CACTVS | 3.341 | C[C@@H](C[S](C)(=O)=O)Nc1ncc2C=C(Oc3ccc(F)cc3F)C(=O)N(C)c2n1 |
SMILES | CACTVS | 3.341 | C[CH](C[S](C)(=O)=O)Nc1ncc2C=C(Oc3ccc(F)cc3F)C(=O)N(C)c2n1 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.5.0 | C[C@@H](CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C |
SMILES | OpenEye OEToolkits | 1.5.0 | CC(CS(=O)(=O)C)Nc1ncc2c(n1)N(C(=O)C(=C2)Oc3ccc(cc3F)F)C |
InChI | InChI | 1.03 | InChI=1S/C18H18F2N4O4S/c1-10(9-29(3,26)27)22-18-21-8-11-6-15(17(25)24(2)16(11)23-18)28-14-5-4-12(19)7-13(14)20/h4-8,10H,9H2,1-3H3,(H,21,22,23)/t10-/m0/s1 |
InChIKey | InChI | 1.03 | DVEYHFXOGUYFBU-JTQLQIEISA-N |