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N67

概要
表記:N-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide
組成式:C11 H14 N4 O4 S2
電荷:0
化学式量:330.383 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-methyl-5-({[(5-methyl-1,2-oxazol-3-yl)carbamoyl]amino}methyl)thiophene-2-sulfonamide
OpenEye OEToolkits2.0.61-(5-methyl-1,2-oxazol-3-yl)-3-[[5-(methylsulfamoyl)thiophen-2-yl]methyl]urea

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(Cc1sc(S(NC)(=O)=O)cc1)C(Nc2noc(c2)C)=O
InChIInChI1.03InChI=1S/C11H14N4O4S2/c1-7-5-9(15-19-7)14-11(16)13-6-8-3-4-10(20-8)21(17,18)12-2/h3-5,12H,6H2,1-2H3,(H2,13,14,15,16)
InChIKeyInChI1.03PHSRIBPDBMYXMN-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN[S](=O)(=O)c1sc(CNC(=O)Nc2cc(C)on2)cc1
SMILESCACTVS3.385CN[S](=O)(=O)c1sc(CNC(=O)Nc2cc(C)on2)cc1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC
SMILESOpenEye OEToolkits2.0.6Cc1cc(no1)NC(=O)NCc2ccc(s2)S(=O)(=O)NC

225946

件を2024-10-09に公開中

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