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O9V

概要
表記:2-fluoro-3-methyl-N'-(phenylsulfonyl)-5-propoxybenzohydrazide
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-propoxybenzohydrazide
OpenEye OEToolkits2.0.72-fluoranyl-3-methyl-~{N}'-(phenylsulfonyl)-5-propoxy-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)OCCC)C)F)NNS(c2ccccc2)(=O)=O
InChIInChI1.03InChI=1S/C17H19FN2O4S/c1-3-9-24-13-10-12(2)16(18)15(11-13)17(21)19-20-25(22,23)14-7-5-4-6-8-14/h4-8,10-11,20H,3,9H2,1-2H3,(H,19,21)
InChIKeyInChI1.03GOFZTZBCDBZRIA-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
SMILESCACTVS3.385CCCOc1cc(C)c(F)c(c1)C(=O)NN[S](=O)(=O)c2ccccc2
SMILES_CANONICALOpenEye OEToolkits2.0.7CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C
SMILESOpenEye OEToolkits2.0.7CCCOc1cc(c(c(c1)C(=O)NNS(=O)(=O)c2ccccc2)F)C

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件を2024-07-17に公開中

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