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O9D

概要
表記:5-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide
組成式:C16 H17 F N2 O4 S
電荷:0
化学式量:352.381 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.015-ethoxy-2-fluoro-3-methyl-N'-(phenylsulfonyl)benzohydrazide
OpenEye OEToolkits2.0.75-ethoxy-2-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)benzohydrazide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01c2(C(=O)NNS(c1ccccc1)(=O)=O)cc(OCC)cc(c2F)C
InChIInChI1.03InChI=1S/C16H17FN2O4S/c1-3-23-12-9-11(2)15(17)14(10-12)16(20)18-19-24(21,22)13-7-5-4-6-8-13/h4-10,19H,3H2,1-2H3,(H,18,20)
InChIKeyInChI1.03JKKRGQGRKITOSW-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
SMILESCACTVS3.385CCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C
SMILESOpenEye OEToolkits2.0.7CCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C

220113

件を2024-05-22に公開中

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