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QTM

概要
表記:3-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
組成式:C14 H14 Cl F N2 O3 S
電荷:0
化学式量:344.789 Da
分子種別:non-polymer

化合物名

プログラムバージョン表記
ACDLabs12.013-(2-aminoethyl)-4-(3-chloro-4-fluorophenoxy)benzene-1-sulfonamide
OpenEye OEToolkits2.0.73-(2-azanylethyl)-4-(3-chloranyl-4-fluoranyl-phenoxy)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
SMILESACDLabs12.01NCCc1cc(S(N)(=O)=O)ccc1Oc2ccc(c(Cl)c2)F
InChIInChI1.03InChI=1S/C14H14ClFN2O3S/c15-12-8-10(1-3-13(12)16)21-14-4-2-11(22(18,19)20)7-9(14)5-6-17/h1-4,7-8H,5-6,17H2,(H2,18,19,20)
InChIKeyInChI1.03WDVWTPNEVTYLQC-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385NCCc1cc(ccc1Oc2ccc(F)c(Cl)c2)[S](N)(=O)=O
SMILESCACTVS3.385NCCc1cc(ccc1Oc2ccc(F)c(Cl)c2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F
SMILESOpenEye OEToolkits2.0.7c1cc(c(cc1Oc2ccc(cc2CCN)S(=O)(=O)N)Cl)F

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件を2024-10-16に公開中

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