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RN0

Summary
Name:4-[2-(3-chlorophenyl)acetamido]isoquinolin-6-yl methanesulfonate
Formula:C18 H15 Cl N2 O4 S
Formal charge:0
Formula weight:390.841 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.014-[2-(3-chlorophenyl)acetamido]isoquinolin-6-yl methanesulfonate
OpenEye OEToolkits2.0.7[4-[2-(3-chlorophenyl)ethanoylamino]isoquinolin-6-yl] methanesulfonate

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)OS(C)(=O)=O
InChIInChI1.06InChI=1S/C18H15ClN2O4S/c1-26(23,24)25-15-6-5-13-10-20-11-17(16(13)9-15)21-18(22)8-12-3-2-4-14(19)7-12/h2-7,9-11H,8H2,1H3,(H,21,22)
InChIKeyInChI1.06QXFKQZYRPVUBJK-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385C[S](=O)(=O)Oc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILESCACTVS3.385C[S](=O)(=O)Oc1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1
SMILES_CANONICALOpenEye OEToolkits2.0.7CS(=O)(=O)Oc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl
SMILESOpenEye OEToolkits2.0.7CS(=O)(=O)Oc1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl

222926

數據於2024-07-24公開中

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