Type | Program | Version | Descriptor |
SMILES | ACDLabs | 12.01 | O=S1(=O)NCc2c1cc(cc2)Nc3ncc(F)c(n3)N(C)c4cccc5c4cnn5 |
InChI | InChI | 1.03 | InChI=1S/C19H16FN7O2S/c1-27(16-4-2-3-15-13(16)9-22-26-15)18-14(20)10-21-19(25-18)24-12-6-5-11-8-23-30(28,29)17(11)7-12/h2-7,9-10,23H,8H2,1H3,(H,22,26)(H,21,24,25) |
InChIKey | InChI | 1.03 | AKKNJEBKJABIRC-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN(c1cccc2[nH]ncc12)c3nc(Nc4ccc5CN[S](=O)(=O)c5c4)ncc3F |
SMILES | CACTVS | 3.385 | CN(c1cccc2[nH]ncc12)c3nc(Nc4ccc5CN[S](=O)(=O)c5c4)ncc3F |
SMILES_CANONICAL | OpenEye OEToolkits | 1.9.2 | CN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F |
SMILES | OpenEye OEToolkits | 1.9.2 | CN(c1cccc2c1cn[nH]2)c3c(cnc(n3)Nc4ccc5c(c4)S(=O)(=O)NC5)F |