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SJD

概要
表記:3,5-bis(fluoranyl)-~{N}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide
組成式:C20 H15 F3 N2 O4 S
電荷:0
化学式量:436.404 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
OpenEye OEToolkits2.0.73,5-bis(fluoranyl)-~{N}-[3-[(2-fluoranyl-4-methoxy-phenyl)sulfamoyl]phenyl]benzamide

化合物記述子(線形表記)

種別プログラムバージョン表記
InChIInChI1.03InChI=1S/C20H15F3N2O4S/c1-29-16-5-6-19(18(23)11-16)25-30(27,28)17-4-2-3-15(10-17)24-20(26)12-7-13(21)9-14(22)8-12/h2-11,25H,1H3,(H,24,26)
InChIKeyInChI1.03NWMPDNCLCRMZII-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1ccc(N[S](=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)c(F)c1
SMILESCACTVS3.385COc1ccc(N[S](=O)(=O)c2cccc(NC(=O)c3cc(F)cc(F)c3)c2)c(F)c1
SMILES_CANONICALOpenEye OEToolkits2.0.7COc1ccc(c(c1)F)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F
SMILESOpenEye OEToolkits2.0.7COc1ccc(c(c1)F)NS(=O)(=O)c2cccc(c2)NC(=O)c3cc(cc(c3)F)F

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件を2024-07-17に公開中

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