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B4S

概要
表記:3'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide
組成式:C13 H9 F4 N O2 S
電荷:0
化学式量:319.275 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.013'-fluoro-4'-(trifluoromethyl)biphenyl-4-sulfonamide
OpenEye OEToolkits1.7.64-[3-fluoranyl-4-(trifluoromethyl)phenyl]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)(N)c2ccc(c1ccc(c(F)c1)C(F)(F)F)cc2
InChIInChI1.03InChI=1S/C13H9F4NO2S/c14-12-7-9(3-6-11(12)13(15,16)17)8-1-4-10(5-2-8)21(18,19)20/h1-7H,(H2,18,19,20)
InChIKeyInChI1.03UEPKMFLFRNDVAW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385N[S](=O)(=O)c1ccc(cc1)c2ccc(c(F)c2)C(F)(F)F
SMILESCACTVS3.385N[S](=O)(=O)c1ccc(cc1)c2ccc(c(F)c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(ccc1c2ccc(c(c2)F)C(F)(F)F)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.6c1cc(ccc1c2ccc(c(c2)F)C(F)(F)F)S(=O)(=O)N

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件を2024-07-10に公開中

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