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2RM

概要
表記:N-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide
組成式:C22 H16 F2 N2 O3 S
電荷:0
化学式量:426.436 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-{4-[(3,5-difluorophenyl)sulfonyl]benzyl}indolizine-6-carboxamide
OpenEye OEToolkits1.7.6N-[[4-[3,5-bis(fluoranyl)phenyl]sulfonylphenyl]methyl]indolizine-6-carboxamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01Fc1cc(cc(F)c1)S(=O)(=O)c2ccc(cc2)CNC(=O)c4ccc3cccn3c4
InChIInChI1.03InChI=1S/C22H16F2N2O3S/c23-17-10-18(24)12-21(11-17)30(28,29)20-7-3-15(4-8-20)13-25-22(27)16-5-6-19-2-1-9-26(19)14-16/h1-12,14H,13H2,(H,25,27)
InChIKeyInChI1.03HRYUEDONVSHEJS-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccc4cccn4c3)cc2
SMILESCACTVS3.385Fc1cc(F)cc(c1)[S](=O)(=O)c2ccc(CNC(=O)c3ccc4cccn4c3)cc2
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F
SMILESOpenEye OEToolkits1.7.6c1cc2ccc(cn2c1)C(=O)NCc3ccc(cc3)S(=O)(=O)c4cc(cc(c4)F)F

223166

件を2024-07-31に公開中

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