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IOF

概要
表記:4-(AMINOSULFONYL)-N-[(3,4,5-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-(3,4,5-trifluorobenzyl)benzamide
OpenEye OEToolkits1.5.04-sulfamoyl-N-[(3,4,5-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
SMILESACDLabs10.04Fc1cc(cc(F)c1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N
SMILES_CANONICALCACTVS3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cc(F)c(F)c(F)c2
SMILESCACTVS3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cc(F)c(F)c(F)c2
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)F)S(=O)(=O)N
SMILESOpenEye OEToolkits1.5.0c1cc(ccc1C(=O)NCc2cc(c(c(c2)F)F)F)S(=O)(=O)N
InChIInChI1.03InChI=1S/C14H11F3N2O3S/c15-11-5-8(6-12(16)13(11)17)7-19-14(20)9-1-3-10(4-2-9)23(18,21)22/h1-6H,7H2,(H,19,20)(H2,18,21,22)
InChIKeyInChI1.03DEHMSTGBNAXEGX-UHFFFAOYSA-N

224004

件を2024-08-21に公開中

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