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PZV

概要
表記:1-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
組成式:C16 H15 F N2 O3 S
電荷:0
化学式量:334.365 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.011-(2-fluorobenzene-1-carbonyl)-N-methyl-2,3-dihydro-1H-indole-5-sulfonamide
OpenEye OEToolkits2.0.71-(2-fluorophenyl)carbonyl-~{N}-methyl-2,3-dihydroindole-5-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
SMILESACDLabs12.01c2cc(S(NC)(=O)=O)cc3CCN(C(c1ccccc1F)=O)c23
InChIInChI1.03InChI=1S/C16H15FN2O3S/c1-18-23(21,22)12-6-7-15-11(10-12)8-9-19(15)16(20)13-4-2-3-5-14(13)17/h2-7,10,18H,8-9H2,1H3
InChIKeyInChI1.03MLAUXXOCJYXBIG-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN[S](=O)(=O)c1ccc2N(CCc2c1)C(=O)c3ccccc3F
SMILESCACTVS3.385CN[S](=O)(=O)c1ccc2N(CCc2c1)C(=O)c3ccccc3F
SMILES_CANONICALOpenEye OEToolkits2.0.7CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F
SMILESOpenEye OEToolkits2.0.7CNS(=O)(=O)c1ccc2c(c1)CCN2C(=O)c3ccccc3F

224931

件を2024-09-11に公開中

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