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RYX

概要
表記:N-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide
組成式:C10 H9 F5 N2 O3 S
電荷:0
化学式量:332.247 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-(2,2,3,3,3-pentafluoropropyl)-4-sulfamoylbenzamide
OpenEye OEToolkits1.7.2N-[2,2,3,3,3-pentakis(fluoranyl)propyl]-4-sulfamoyl-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
SMILESACDLabs12.01O=S(=O)(N)c1ccc(C(=O)NCC(F)(F)C(F)(F)F)cc1
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)F
SMILESCACTVS3.370N[S](=O)(=O)c1ccc(cc1)C(=O)NCC(F)(F)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.2c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(=O)(=O)N
SMILESOpenEye OEToolkits1.7.2c1cc(ccc1C(=O)NCC(C(F)(F)F)(F)F)S(=O)(=O)N
InChIInChI1.03InChI=1S/C10H9F5N2O3S/c11-9(12,10(13,14)15)5-17-8(18)6-1-3-7(4-2-6)21(16,19)20/h1-4H,5H2,(H,17,18)(H2,16,19,20)
InChIKeyInChI1.03XRWFNUPDTKOWTL-UHFFFAOYSA-N

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件を2024-07-17に公開中

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