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2G1

概要
表記:4-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
組成式:C13 H13 F3 N2 O2 S2
電荷:0
化学式量:350.38 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.014-(2-methyl-1,3-thiazol-4-yl)-N-(3,3,3-trifluoropropyl)benzenesulfonamide
OpenEye OEToolkits1.7.64-(2-methyl-1,3-thiazol-4-yl)-N-[3,3,3-tris(fluoranyl)propyl]benzenesulfonamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01FC(F)(F)CCNS(=O)(=O)c2ccc(c1nc(sc1)C)cc2
InChIInChI1.03InChI=1S/C13H13F3N2O2S2/c1-9-18-12(8-21-9)10-2-4-11(5-3-10)22(19,20)17-7-6-13(14,15)16/h2-5,8,17H,6-7H2,1H3
InChIKeyInChI1.03IQNRYHOPUGEBMI-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F
SMILESCACTVS3.385Cc1scc(n1)c2ccc(cc2)[S](=O)(=O)NCCC(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F
SMILESOpenEye OEToolkits1.7.6Cc1nc(cs1)c2ccc(cc2)S(=O)(=O)NCCC(F)(F)F

222415

件を2024-07-10に公開中

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