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ZMJ

Summary
Name:N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
Formula:C18 H18 N2 O3 S
Formal charge:0
Formula weight:342.412 Da
Component type:non-polymer

Chemical Identifiers

ProgramVersionName
ACDLabs12.01N-[3-(2-methyl-1-oxo-1,2-dihydroisoquinolin-4-yl)phenyl]ethanesulfonamide
OpenEye OEToolkits2.0.7~{N}-[3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)phenyl]ethanesulfonamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01CCS(=O)(=O)Nc1cccc(c1)C1=CN(C)C(=O)c2ccccc12
InChIInChI1.03InChI=1S/C18H18N2O3S/c1-3-24(22,23)19-14-8-6-7-13(11-14)17-12-20(2)18(21)16-10-5-4-9-15(16)17/h4-12,19H,3H2,1-2H3
InChIKeyInChI1.03QIEVBHRUPLMWFP-UHFFFAOYSA-N
SMILES_CANONICALCACTVS3.385CC[S](=O)(=O)Nc1cccc(c1)C2=CN(C)C(=O)c3ccccc23
SMILESCACTVS3.385CC[S](=O)(=O)Nc1cccc(c1)C2=CN(C)C(=O)c3ccccc23
SMILES_CANONICALOpenEye OEToolkits2.0.7CCS(=O)(=O)Nc1cccc(c1)C2=CN(C(=O)c3c2cccc3)C
SMILESOpenEye OEToolkits2.0.7CCS(=O)(=O)Nc1cccc(c1)C2=CN(C(=O)c3c2cccc3)C

220472

PDB entries from 2024-05-29

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