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7CM

概要
表記:3-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
組成式:C16 H14 Cl F N2 O3 S
電荷:0
化学式量:368.81 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.013-chloro-4-fluoro-N-[3-(2-oxopyrrolidin-1-yl)phenyl]benzene-1-sulfonamide
OpenEye OEToolkits2.0.63-chloranyl-4-fluoranyl-~{N}-[3-(2-oxidanylidenepyrrolidin-1-yl)phenyl]benzenesulfonamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01c2c(NS(=O)(c1ccc(c(c1)Cl)F)=O)cccc2N3CCCC3=O
InChIInChI1.03InChI=1S/C16H14ClFN2O3S/c17-14-10-13(6-7-15(14)18)24(22,23)19-11-3-1-4-12(9-11)20-8-2-5-16(20)21/h1,3-4,6-7,9-10,19H,2,5,8H2
InChIKeyInChI1.03QRYMHOGHQXOWLR-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1ccc(cc1Cl)[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
SMILESCACTVS3.385Fc1ccc(cc1Cl)[S](=O)(=O)Nc2cccc(c2)N3CCCC3=O
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3ccc(c(c3)Cl)F
SMILESOpenEye OEToolkits2.0.6c1cc(cc(c1)N2CCCC2=O)NS(=O)(=O)c3ccc(c(c3)Cl)F

223790

件を2024-08-14に公開中

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