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O2L

概要
表記:N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide
組成式:C17 H16 F4 N2 O4 S
電荷:0
化学式量:420.379 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.01N-hydroxy-4-{[(propan-2-yl)(2,3,4,5-tetrafluorobenzene-1-sulfonyl)amino]methyl}benzamide
OpenEye OEToolkits2.0.7~{N}-oxidanyl-4-[[propan-2-yl-[2,3,4,5-tetrakis(fluoranyl)phenyl]sulfonyl-amino]methyl]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
SMILESACDLabs12.01Fc1c(F)c(F)c(F)cc1S(=O)(=O)N(Cc1ccc(cc1)C(=O)NO)C(C)C
InChIInChI1.03InChI=1S/C17H16F4N2O4S/c1-9(2)23(8-10-3-5-11(6-4-10)17(24)22-25)28(26,27)13-7-12(18)14(19)16(21)15(13)20/h3-7,9,25H,8H2,1-2H3,(H,22,24)
InChIKeyInChI1.03SJWJGLIJTRUXIZ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC(C)N(Cc1ccc(cc1)C(=O)NO)[S](=O)(=O)c2cc(F)c(F)c(F)c2F
SMILESCACTVS3.385CC(C)N(Cc1ccc(cc1)C(=O)NO)[S](=O)(=O)c2cc(F)c(F)c(F)c2F
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(C)N(Cc1ccc(cc1)C(=O)NO)S(=O)(=O)c2cc(c(c(c2F)F)F)F
SMILESOpenEye OEToolkits2.0.7CC(C)N(Cc1ccc(cc1)C(=O)NO)S(=O)(=O)c2cc(c(c(c2F)F)F)F

223532

件を2024-08-07に公開中

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