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N71

概要
表記:N-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]urea
組成式:C13 H15 N3 O4 S
電荷:0
化学式量:309.341 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-(5-methyl-1,2-oxazol-3-yl)-N'-[2-(phenylsulfonyl)ethyl]urea
OpenEye OEToolkits2.0.61-(5-methyl-1,2-oxazol-3-yl)-3-[2-(phenylsulfonyl)ethyl]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(CCS(c1ccccc1)(=O)=O)C(Nc2cc(C)on2)=O
InChIInChI1.03InChI=1S/C13H15N3O4S/c1-10-9-12(16-20-10)15-13(17)14-7-8-21(18,19)11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3,(H2,14,15,16,17)
InChIKeyInChI1.03XVQVTCYUFZRWGM-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1onc(NC(=O)NCC[S](=O)(=O)c2ccccc2)c1
SMILESCACTVS3.385Cc1onc(NC(=O)NCC[S](=O)(=O)c2ccccc2)c1
SMILES_CANONICALOpenEye OEToolkits2.0.6Cc1cc(no1)NC(=O)NCCS(=O)(=O)c2ccccc2
SMILESOpenEye OEToolkits2.0.6Cc1cc(no1)NC(=O)NCCS(=O)(=O)c2ccccc2

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件を2024-07-17に公開中

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