種別 | プログラム | バージョン | 表記 |
SMILES_CANONICAL | CACTVS | 3.352 | COc1ncc(cc1N[S](=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3 |
SMILES | CACTVS | 3.352 | COc1ncc(cc1N[S](=O)(=O)c2ccc(F)cc2F)c3ccc4nccc(c5ccnnc5)c4c3 |
SMILES_CANONICAL | OpenEye OEToolkits | 1.7.0 | COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F |
SMILES | OpenEye OEToolkits | 1.7.0 | COc1c(cc(cn1)c2ccc3c(c2)c(ccn3)c4ccnnc4)NS(=O)(=O)c5ccc(cc5F)F |
InChI | InChI | 1.03 | InChI=1S/C25H17F2N5O3S/c1-35-25-23(32-36(33,34)24-5-3-18(26)12-21(24)27)11-17(13-29-25)15-2-4-22-20(10-15)19(7-8-28-22)16-6-9-30-31-14-16/h2-14,32H,1H3 |
InChIKey | InChI | 1.03 | CGBJSGAELGCMKE-UHFFFAOYSA-N |