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7T9

概要
表記:N-[(2S)-5-(6-FLUORO-3-PYRIDINYL)-2,3-DIHYDRO-1H-INDEN-2-YL]-2-PROPANESULFONAMIDE
組成式:C17 H19 F N2 O2 S
電荷:0
化学式量:334.408 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs10.04N-[(2S)-5-(6-fluoropyridin-3-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
OpenEye OEToolkits1.6.1N-[(2S)-5-(6-fluoropyridin-3-yl)-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
SMILESACDLabs10.04Fc3ncc(c1cc2c(cc1)CC(NS(=O)(=O)C(C)C)C2)cc3
SMILES_CANONICALCACTVS3.352CC(C)[S](=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(F)nc3
SMILESCACTVS3.352CC(C)[S](=O)(=O)N[CH]1Cc2ccc(cc2C1)c3ccc(F)nc3
SMILES_CANONICALOpenEye OEToolkits1.6.1CC(C)S(=O)(=O)N[C@H]1Cc2ccc(cc2C1)c3ccc(nc3)F
SMILESOpenEye OEToolkits1.6.1CC(C)S(=O)(=O)NC1Cc2ccc(cc2C1)c3ccc(nc3)F
InChIInChI1.03InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
InChIKeyInChI1.03QXQSUBKWSHMXDP-INIZCTEOSA-N

223790

件を2024-08-14に公開中

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