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L77

概要
表記:2-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide
組成式:C22 H15 Cl F4 N2 O3 S
電荷:0
化学式量:498.878 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.012-chloro-6-fluoro-N-(1-{[3-(trifluoromethyl)phenyl]sulfonyl}-2,3-dihydro-1H-indol-6-yl)benzamide
OpenEye OEToolkits2.0.72-chloranyl-6-fluoranyl-~{N}-[1-[3-(trifluoromethyl)phenyl]sulfonyl-2,3-dihydroindol-6-yl]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
SMILESACDLabs12.01N(C(=O)c1c(cccc1Cl)F)c2cc3N(CCc3cc2)S(=O)(=O)c4cc(ccc4)C(F)(F)F
InChIInChI1.03InChI=1S/C22H15ClF4N2O3S/c23-17-5-2-6-18(24)20(17)21(30)28-15-8-7-13-9-10-29(19(13)12-15)33(31,32)16-4-1-3-14(11-16)22(25,26)27/h1-8,11-12H,9-10H2,(H,28,30)
InChIKeyInChI1.03QZUQDSDXWBNSPD-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cccc(Cl)c1C(=O)Nc2ccc3CCN(c3c2)[S](=O)(=O)c4cccc(c4)C(F)(F)F
SMILESCACTVS3.385Fc1cccc(Cl)c1C(=O)Nc2ccc3CCN(c3c2)[S](=O)(=O)c4cccc(c4)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)NC(=O)c4c(cccc4Cl)F)C(F)(F)F
SMILESOpenEye OEToolkits2.0.7c1cc(cc(c1)S(=O)(=O)N2CCc3c2cc(cc3)NC(=O)c4c(cccc4Cl)F)C(F)(F)F

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件を2024-07-17に公開中

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