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EB7

概要
表記:2-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide
組成式:C19 H14 Cl F N2 O3 S
電荷:0
化学式量:404.842 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-chloro-N-(1-ethyl-2-oxo-1,2-dihydrobenzo[cd]indol-6-yl)-4-fluorobenzenesulfonamide
OpenEye OEToolkits1.9.22-chloranyl-N-(1-ethyl-2-oxidanylidene-benzo[cd]indol-6-yl)-4-fluoranyl-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
SMILESACDLabs12.01Clc1cc(F)ccc1S(=O)(=O)Nc2c4c3c(cc2)N(C(c3ccc4)=O)CC
InChIInChI1.03InChI=1S/C19H14ClFN2O3S/c1-2-23-16-8-7-15(12-4-3-5-13(18(12)16)19(23)24)22-27(25,26)17-9-6-11(21)10-14(17)20/h3-10,22H,2H2,1H3
InChIKeyInChI1.03JRNIXDMQFKHQLE-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccc(F)cc4Cl)ccc1c23
SMILESCACTVS3.385CCN1C(=O)c2cccc3c(N[S](=O)(=O)c4ccc(F)cc4Cl)ccc1c23
SMILES_CANONICALOpenEye OEToolkits1.9.2CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F
SMILESOpenEye OEToolkits1.9.2CCN1c2ccc(c3c2c(ccc3)C1=O)NS(=O)(=O)c4ccc(cc4Cl)F

226262

件を2024-10-16に公開中

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