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GHN

概要
表記:ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate
組成式:C16 H17 F3 N2 O4 S2
電荷:0
化学式量:422.442 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
OpenEye OEToolkits2.0.6ethyl 2-[4-[4-[3,3,3-tris(fluoranyl)propylsulfamoyl]phenyl]-1,3-thiazol-2-yl]ethanoate

化合物記述子(線形表記)

種別プログラムバージョン表記
InChIInChI1.03InChI=1S/C16H17F3N2O4S2/c1-2-25-15(22)9-14-21-13(10-26-14)11-3-5-12(6-4-11)27(23,24)20-8-7-16(17,18)19/h3-6,10,20H,2,7-9H2,1H3
InChIKeyInChI1.03BOOGQWHJJOHPJE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F
SMILESCACTVS3.385CCOC(=O)Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.6CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F
SMILESOpenEye OEToolkits2.0.6CCOC(=O)Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F

224931

件を2024-09-11に公開中

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