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6E9

概要
表記:N-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
組成式:C16 H15 N3 O5 S
電荷:0
化学式量:361.372 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-(3-methoxyphenyl)-N-methyl-2,3-dioxo-1,2,3,4-tetrahydroquinoxaline-6-sulfonamide
OpenEye OEToolkits2.0.4~{N}-(3-methoxyphenyl)-~{N}-methyl-2,3-bis(oxidanylidene)-1,4-dihydroquinoxaline-6-sulfonamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01N1C(=O)C(=O)Nc2c1ccc(c2)S(=O)(=O)N(C)c3cc(ccc3)OC
InChIInChI1.03InChI=1S/C16H15N3O5S/c1-19(10-4-3-5-11(8-10)24-2)25(22,23)12-6-7-13-14(9-12)18-16(21)15(20)17-13/h3-9H,1-2H3,(H,17,20)(H,18,21)
InChIKeyInChI1.03ZYUVUTFKMHIMBV-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385COc1cccc(c1)N(C)[S](=O)(=O)c2ccc3NC(=O)C(=O)Nc3c2
SMILESCACTVS3.385COc1cccc(c1)N(C)[S](=O)(=O)c2ccc3NC(=O)C(=O)Nc3c2
SMILES_CANONICALOpenEye OEToolkits2.0.4CN(c1cccc(c1)OC)S(=O)(=O)c2ccc3c(c2)NC(=O)C(=O)N3
SMILESOpenEye OEToolkits2.0.4CN(c1cccc(c1)OC)S(=O)(=O)c2ccc3c(c2)NC(=O)C(=O)N3

221051

件を2024-06-12に公開中

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