Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc2ccc(N1C=CC=CC1=O)cc2F)C4C(C(=O)Nc3ccc(OC)c(F)c3)CN(S(=O)(=O)C)C4 |
SMILES_CANONICAL | CACTVS | 3.352 | COc1ccc(NC(=O)[C@H]2CN(C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)[S](C)(=O)=O)cc1F |
SMILES | CACTVS | 3.352 | COc1ccc(NC(=O)[CH]2CN(C[CH]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)[S](C)(=O)=O)cc1F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | COc1ccc(cc1F)NC(=O)[C@H]2C[N@@](C[C@@H]2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)C |
SMILES | OpenEye OEToolkits | 1.6.1 | COc1ccc(cc1F)NC(=O)C2CN(CC2C(=O)Nc3ccc(cc3F)N4C=CC=CC4=O)S(=O)(=O)C |
InChI | InChI | 1.03 | InChI=1S/C25H24F2N4O6S/c1-37-22-9-6-15(11-20(22)27)28-24(33)17-13-30(38(2,35)36)14-18(17)25(34)29-21-8-7-16(12-19(21)26)31-10-4-3-5-23(31)32/h3-12,17-18H,13-14H2,1-2H3,(H,28,33)(H,29,34)/t17-,18-/m0/s1 |
InChIKey | InChI | 1.03 | JORQWQCWRYRBEL-ROUUACIJSA-N |