Type | Program | Version | Descriptor |
InChI | InChI | 1.03 | InChI=1S/C25H20F2N4O5S/c1-3-37(33,34)30-15-5-7-21(35-22-6-4-14(26)8-19(22)27)16(9-15)18-12-31(2)25(32)17-10-23(36-24(17)18)20-11-28-13-29-20/h4-13,30H,3H2,1-2H3,(H,28,29) |
InChIKey | InChI | 1.03 | BWALAYQEQUFOGH-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5[nH]cnc5 |
SMILES | CACTVS | 3.385 | CC[S](=O)(=O)Nc1ccc(Oc2ccc(F)cc2F)c(c1)C3=CN(C)C(=O)c4cc(oc34)c5[nH]cnc5 |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2oc(c3)c4cnc[nH]4)C)Oc5ccc(cc5F)F |
SMILES | OpenEye OEToolkits | 2.0.7 | CCS(=O)(=O)Nc1ccc(c(c1)C2=CN(C(=O)c3c2oc(c3)c4cnc[nH]4)C)Oc5ccc(cc5F)F |