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RL0

Summary
Name:2-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide
Formula:C19 H18 Cl N3 O3 S
Formal charge:0
Formula weight:403.883 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.012-(3-chlorophenyl)-N-{6-[(methanesulfonyl)(methyl)amino]isoquinolin-4-yl}acetamide
OpenEye OEToolkits2.0.72-(3-chlorophenyl)-~{N}-[6-[methyl(methylsulfonyl)amino]isoquinolin-4-yl]ethanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01Clc1cccc(c1)CC(=O)Nc1cncc2ccc(cc21)N(C)S(C)(=O)=O
InChIInChI1.06InChI=1S/C19H18ClN3O3S/c1-23(27(2,25)26)16-7-6-14-11-21-12-18(17(14)10-16)22-19(24)9-13-4-3-5-15(20)8-13/h3-8,10-12H,9H2,1-2H3,(H,22,24)
InChIKeyInChI1.06NWQAGGFPSKOROJ-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CN(c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1)[S](C)(=O)=O
SMILESCACTVS3.385CN(c1ccc2cncc(NC(=O)Cc3cccc(Cl)c3)c2c1)[S](C)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CN(c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl)S(=O)(=O)C
SMILESOpenEye OEToolkits2.0.7CN(c1ccc2cncc(c2c1)NC(=O)Cc3cccc(c3)Cl)S(=O)(=O)C

218853

PDB entries from 2024-04-24

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