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F2B

概要
表記:N-(2,3-DIFLUORO-BENZYL)-4-SULFAMOYL-BENZAMIDE
組成式:C14 H12 F2 N2 O3 S
電荷:0
化学式量:326.318 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs10.04N-(2,3-difluorobenzyl)-4-sulfamoylbenzamide
OpenEye OEToolkits1.5.0N-[(2,3-difluorophenyl)methyl]-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
SMILESACDLabs10.04Fc1c(cccc1F)CNC(=O)c2ccc(cc2)S(=O)(=O)N
SMILES_CANONICALCACTVS3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(F)c2F
SMILESCACTVS3.341N[S](=O)(=O)c1ccc(cc1)C(=O)NCc2cccc(F)c2F
SMILES_CANONICALOpenEye OEToolkits1.5.0c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N
SMILESOpenEye OEToolkits1.5.0c1cc(c(c(c1)F)F)CNC(=O)c2ccc(cc2)S(=O)(=O)N
InChIInChI1.03InChI=1S/C14H12F2N2O3S/c15-12-3-1-2-10(13(12)16)8-18-14(19)9-4-6-11(7-5-9)22(17,20)21/h1-7H,8H2,(H,18,19)(H2,17,20,21)
InChIKeyInChI1.03QASSMVGOSBNFQY-UHFFFAOYSA-N

220113

件を2024-05-22に公開中

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