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808

概要
表記:N-[(2S)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
別名:(S)-N-(5-((5-(trifluoromethyl)furan-2-yl)methyl)-2,3-dihydro-1H-inden-2-yl)propane-2-sulfonamide
組成式:C18 H20 F3 N O3 S
電荷:0
化学式量:387.417 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-[(2S)-5-{[5-(trifluoromethyl)furan-2-yl]methyl}-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
OpenEye OEToolkits1.7.0N-[(2S)-5-[[5-(trifluoromethyl)furan-2-yl]methyl]-2,3-dihydro-1H-inden-2-yl]propane-2-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)c1oc(cc1)Cc2ccc3c(c2)CC(NS(=O)(=O)C(C)C)C3
SMILES_CANONICALCACTVS3.370CC(C)[S](=O)(=O)N[C@H]1Cc2ccc(Cc3oc(cc3)C(F)(F)F)cc2C1
SMILESCACTVS3.370CC(C)[S](=O)(=O)N[CH]1Cc2ccc(Cc3oc(cc3)C(F)(F)F)cc2C1
SMILES_CANONICALOpenEye OEToolkits1.7.0CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)Cc3ccc(o3)C(F)(F)F
SMILESOpenEye OEToolkits1.7.0CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)Cc3ccc(o3)C(F)(F)F
InChIInChI1.03InChI=1S/C18H20F3NO3S/c1-11(2)26(23,24)22-15-9-13-4-3-12(7-14(13)10-15)8-16-5-6-17(25-16)18(19,20)21/h3-7,11,15,22H,8-10H2,1-2H3/t15-/m0/s1
InChIKeyInChI1.03LONAEEDHLGMMRS-HNNXBMFYSA-N

223790

件を2024-08-14に公開中

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