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U98

概要
表記:2-(3-(trifluoromethyl)anilino)pyridine-3-sulfonamide
組成式:C12 H10 F3 N3 O2 S
電荷:0
化学式量:317.287 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.012-{[3-(trifluoromethyl)phenyl]amino}pyridine-3-sulfonamide
OpenEye OEToolkits1.7.62-[[3-(trifluoromethyl)phenyl]amino]pyridine-3-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
SMILESACDLabs12.01FC(F)(F)c1cc(ccc1)Nc2ncccc2S(=O)(=O)N
InChIInChI1.03InChI=1S/C12H10F3N3O2S/c13-12(14,15)8-3-1-4-9(7-8)18-11-10(21(16,19)20)5-2-6-17-11/h1-7H,(H,17,18)(H2,16,19,20)
InChIKeyInChI1.03WOYXTNYWFYWXFO-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.370N[S](=O)(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
SMILESCACTVS3.370N[S](=O)(=O)c1cccnc1Nc2cccc(c2)C(F)(F)F
SMILES_CANONICALOpenEye OEToolkits1.7.6c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F
SMILESOpenEye OEToolkits1.7.6c1cc(cc(c1)Nc2c(cccn2)S(=O)(=O)N)C(F)(F)F

224931

件を2024-09-11に公開中

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