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P99

概要
表記:2-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide
別名:2-[4-[2-(benzenesulfonamido)ethylsulfanyl]-2,6-difluorophenoxy]acetamide
組成式:C16 H16 F2 N2 O4 S2
電荷:0
化学式量:402.436 Da
分子種別:NON-POLYMER

化合物名

プログラムバージョン表記
ACDLabs12.012-[2,6-difluoro-4-({2-[(phenylsulfonyl)amino]ethyl}sulfanyl)phenoxy]acetamide
OpenEye OEToolkits1.7.02-[2,6-difluoro-4-[2-(phenylsulfonylamino)ethylsulfanyl]phenoxy]ethanamide

化合物記述子(線形表記)

種別プログラムバージョン表記
SMILESACDLabs12.01O=S(=O)(c1ccccc1)NCCSc2cc(F)c(OCC(=O)N)c(F)c2
SMILES_CANONICALCACTVS3.370NC(=O)COc1c(F)cc(SCCN[S](=O)(=O)c2ccccc2)cc1F
SMILESCACTVS3.370NC(=O)COc1c(F)cc(SCCN[S](=O)(=O)c2ccccc2)cc1F
SMILES_CANONICALOpenEye OEToolkits1.7.0c1ccc(cc1)S(=O)(=O)NCCSc2cc(c(c(c2)F)OCC(=O)N)F
SMILESOpenEye OEToolkits1.7.0c1ccc(cc1)S(=O)(=O)NCCSc2cc(c(c(c2)F)OCC(=O)N)F
InChIInChI1.03InChI=1S/C16H16F2N2O4S2/c17-13-8-11(9-14(18)16(13)24-10-15(19)21)25-7-6-20-26(22,23)12-4-2-1-3-5-12/h1-5,8-9,20H,6-7,10H2,(H2,19,21)
InChIKeyInChI1.03GTACSIONMHMRPD-UHFFFAOYSA-N

224931

件を2024-09-11に公開中

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