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7M6

Summary
Name:7-chloro-4-(2-fluoroethyl)-2,3-dihydro-1,2,4-benzothiadiazine 1,1-dioxide
Formula:C9 H10 Cl F N2 O2 S
Formal charge:0
Formula weight:264.704 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
OpenEye OEToolkits2.0.67-chloranyl-4-(2-fluoranylethyl)-2,3-dihydro-1$l^{6},2,4-benzothiadiazine 1,1-dioxide

Chemical Descriptors

TypeProgramVersionDescriptor
InChIInChI1.03InChI=1S/C9H10ClFN2O2S/c10-7-1-2-8-9(5-7)16(14,15)12-6-13(8)4-3-11/h1-2,5,12H,3-4,6H2
InChIKeyInChI1.03PDYLKRWZXXTAQJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385FCCN1CN[S](=O)(=O)c2cc(Cl)ccc12
SMILESCACTVS3.385FCCN1CN[S](=O)(=O)c2cc(Cl)ccc12
SMILES_CANONICALOpenEye OEToolkits2.0.6c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF
SMILESOpenEye OEToolkits2.0.6c1cc2c(cc1Cl)S(=O)(=O)NCN2CCF

223166

数据于2024-07-31公开中

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