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HFZ

概要
表記:6-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
組成式:C8 H8 F3 N3 O4 S2
電荷:0
化学式量:331.292 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs11.026-(trifluoromethyl)-3,4-dihydro-2H-1,2,4-benzothiadiazine-7-sulfonamide 1,1-dioxide
OpenEye OEToolkits1.6.11,1-dioxo-6-(trifluoromethyl)-3,4-dihydro-2H-benzo[e][1,2,4]thiadiazine-7-sulfonamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs11.02FC(F)(F)c2c(cc1c(NCNS1(=O)=O)c2)S(=O)(=O)N
SMILES_CANONICALCACTVS3.352N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F
SMILESCACTVS3.352N[S](=O)(=O)c1cc2c(NCN[S]2(=O)=O)cc1C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.0c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F
SMILESOpenEye OEToolkits1.7.0c1c(c(cc2c1NCNS2(=O)=O)S(=O)(=O)N)C(F)(F)F
InChIInChI1.03InChI=1S/C8H8F3N3O4S2/c9-8(10,11)4-1-5-7(2-6(4)19(12,15)16)20(17,18)14-3-13-5/h1-2,13-14H,3H2,(H2,12,15,16)
InChIKeyInChI1.03DMDGGSIALPNSEE-UHFFFAOYSA-N

218853

件を2024-04-24に公開中

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