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695

概要
表記:N-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide
組成式:C15 H18 N2 O3 S
電荷:0
化学式量:306.38 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.01N-{2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl}acetamide
OpenEye OEToolkits1.7.0N-[2-[7-(methylsulfamoyl)naphthalen-1-yl]ethyl]ethanamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O=S(=O)(NC)c2ccc1c(c(ccc1)CCNC(=O)C)c2
SMILES_CANONICALCACTVS3.370CN[S](=O)(=O)c1ccc2cccc(CCNC(C)=O)c2c1
SMILESCACTVS3.370CN[S](=O)(=O)c1ccc2cccc(CCNC(C)=O)c2c1
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(=O)NCCc1cccc2c1cc(cc2)S(=O)(=O)NC
SMILESOpenEye OEToolkits1.7.0CC(=O)NCCc1cccc2c1cc(cc2)S(=O)(=O)NC
InChIInChI1.03InChI=1S/C15H18N2O3S/c1-11(18)17-9-8-13-5-3-4-12-6-7-14(10-15(12)13)21(19,20)16-2/h3-7,10,16H,8-9H2,1-2H3,(H,17,18)
InChIKeyInChI1.03LMMCCCKILDSFAH-UHFFFAOYSA-N

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件を2024-07-24に公開中

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