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Q64

Summary
Name:(2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide
Formula:C17 H16 N2 O4 S
Formal charge:0
Formula weight:344.385 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2Z)-2-benzylidene-3-oxo-N-(4-sulfamoylphenyl)butanamide
OpenEye OEToolkits2.0.7(2~{Z})-3-oxidanylidene-2-(phenylmethylidene)-~{N}-(4-sulfamoylphenyl)butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1ccc(cc1)[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O
InChIInChI1.03InChI=1S/C17H16N2O4S/c1-12(20)16(11-13-5-3-2-4-6-13)17(21)19-14-7-9-15(10-8-14)24(18,22)23/h2-11H,1H3,(H,19,21)(H2,18,22,23)/b16-11-
InChIKeyInChI1.03NDDZSPLPKNIELX-WJDWOHSUSA-N
SMILES_CANONICALCACTVS3.385CC(=O)\C(=C\c1ccccc1)C(=O)Nc2ccc(cc2)[S](N)(=O)=O
SMILESCACTVS3.385CC(=O)C(=Cc1ccccc1)C(=O)Nc2ccc(cc2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)/C(=C/c1ccccc1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7CC(=O)C(=Cc1ccccc1)C(=O)Nc2ccc(cc2)S(=O)(=O)N

218853

PDB entries from 2024-04-24

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