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D04

概要
表記:4-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide
組成式:C14 H14 F4 N4 O2 S
電荷:0
化学式量:378.345 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.014-(4-cyclohexyl-1H-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluorobenzenesulfonamide
OpenEye OEToolkits1.7.04-(4-cyclohexyl-1,2,3-triazol-1-yl)-2,3,5,6-tetrafluoro-benzenesulfonamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O=S(=O)(c1c(F)c(F)c(c(F)c1F)n2nnc(c2)C3CCCCC3)N
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1c(F)c(F)c(n2cc(nn2)C3CCCCC3)c(F)c1F
SMILESCACTVS3.370N[S](=O)(=O)c1c(F)c(F)c(n2cc(nn2)C3CCCCC3)c(F)c1F
SMILES_CANONICALOpenEye OEToolkits1.7.0c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C3CCCCC3
SMILESOpenEye OEToolkits1.7.0c1c(nnn1c2c(c(c(c(c2F)F)S(=O)(=O)N)F)F)C3CCCCC3
InChIInChI1.03InChI=1S/C14H14F4N4O2S/c15-9-11(17)14(25(19,23)24)12(18)10(16)13(9)22-6-8(20-21-22)7-4-2-1-3-5-7/h6-7H,1-5H2,(H2,19,23,24)
InChIKeyInChI1.03RAGBVAFIIJNDRZ-UHFFFAOYSA-N

222415

件を2024-07-10に公開中

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