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O9S

概要
表記:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
組成式:C17 H19 F N2 O4 S
電荷:0
化学式量:366.407 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.012-fluoro-3-methyl-N'-(phenylsulfonyl)-5-[(propan-2-yl)oxy]benzohydrazide
OpenEye OEToolkits2.0.72-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)-5-propan-2-yloxy-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
SMILESACDLabs12.01C(=O)(c1c(c(cc(c1)OC(C)C)C)F)NNS(c2ccccc2)(=O)=O
InChIInChI1.03InChI=1S/C17H19FN2O4S/c1-11(2)24-13-9-12(3)16(18)15(10-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-11,20H,1-3H3,(H,19,21)
InChIKeyInChI1.03REQXSAOLNCUPGK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)Oc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
SMILESCACTVS3.385CC(C)Oc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.7Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC(C)C
SMILESOpenEye OEToolkits2.0.7Cc1cc(cc(c1F)C(=O)NNS(=O)(=O)c2ccccc2)OC(C)C

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件を2024-07-24に公開中

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