種別 | プログラム | バージョン | 表記 |
SMILES | ACDLabs | 12.01 | FCCCS(=O)(=O)Nc1ccc(F)c(Nc2ccc3N=CN(C)C(=O)c3c2C)c1Cl |
InChI | InChI | 1.06 | InChI=1S/C19H19ClF2N4O3S/c1-11-13(6-7-14-16(11)19(27)26(2)10-23-14)24-18-12(22)4-5-15(17(18)20)25-30(28,29)9-3-8-21/h4-7,10,24-25H,3,8-9H2,1-2H3 |
InChIKey | InChI | 1.06 | VVLVISDSGRHLMB-UHFFFAOYSA-N |
SMILES_CANONICAL | CACTVS | 3.385 | CN1C=Nc2ccc(Nc3c(F)ccc(N[S](=O)(=O)CCCF)c3Cl)c(C)c2C1=O |
SMILES | CACTVS | 3.385 | CN1C=Nc2ccc(Nc3c(F)ccc(N[S](=O)(=O)CCCF)c3Cl)c(C)c2C1=O |
SMILES_CANONICAL | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1C(=O)N(C=N2)C)Nc3c(ccc(c3Cl)NS(=O)(=O)CCCF)F |
SMILES | OpenEye OEToolkits | 2.0.7 | Cc1c(ccc2c1C(=O)N(C=N2)C)Nc3c(ccc(c3Cl)NS(=O)(=O)CCCF)F |