Type | Program | Version | Descriptor |
SMILES | ACDLabs | 10.04 | O=C(Nc2ccc(N1C=CC=CC1=O)cc2F)C4C(C(=O)Nc3ccc(Cl)c(F)c3)CN(S(=O)(=O)C)C4 |
SMILES_CANONICAL | CACTVS | 3.352 | C[S](=O)(=O)N1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)c(F)c4 |
SMILES | CACTVS | 3.352 | C[S](=O)(=O)N1C[CH]([CH](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(Cl)c(F)c4 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.6.1 | CS(=O)(=O)[N@]1C[C@@H]([C@H](C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl |
SMILES | OpenEye OEToolkits | 1.6.1 | CS(=O)(=O)N1CC(C(C1)C(=O)Nc2ccc(cc2F)N3C=CC=CC3=O)C(=O)Nc4ccc(c(c4)F)Cl |
InChI | InChI | 1.03 | InChI=1S/C24H21ClF2N4O5S/c1-37(35,36)30-12-16(23(33)28-14-5-7-18(25)19(26)10-14)17(13-30)24(34)29-21-8-6-15(11-20(21)27)31-9-3-2-4-22(31)32/h2-11,16-17H,12-13H2,1H3,(H,28,33)(H,29,34)/t16-,17-/m0/s1 |
InChIKey | InChI | 1.03 | XRNMSDIWHHURFN-IRXDYDNUSA-N |