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IOC

概要
表記:4-(AMINOSULFONYL)-N-[(2,3,4-TRIFLUOROPHENYL)METHYL]-BENZAMIDE
組成式:C14 H11 F3 N2 O3 S
電荷:0
化学式量:344.309 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.044-sulfamoyl-N-(2,3,4-trifluorobenzyl)benzamide
OpenEye OEToolkits1.5.04-sulfamoyl-N-[(2,3,4-trifluorophenyl)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
SMILESACDLabs10.04Fc1ccc(c(F)c1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N
SMILES_CANONICALCACTVS3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)c(F)c2F
SMILESCACTVS3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2ccc(F)c(F)c2F
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)NCc2ccc(c(c2F)F)F)S(=O)(=O)N
InChIInChI1.03InChI=1S/C14H11F3N2O3S/c15-11-6-3-9(12(16)13(11)17)7-19-14(20)8-1-4-10(5-2-8)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)
InChIKeyInChI1.03AANTYZRUJFNZFI-UHFFFAOYSA-N

226262

件を2024-10-16に公開中

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