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Q6D

Summary
Name:(2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide
Formula:C15 H14 N2 O4 S2
Formal charge:0
Formula weight:350.413 Da
Component type:NON-POLYMER

Chemical Identifiers

ProgramVersionName
ACDLabs12.01(2Z)-3-oxo-N-(4-sulfamoylphenyl)-2-[(thiophen-2-yl)methylidene]butanamide
OpenEye OEToolkits2.0.7(2~{Z})-3-oxidanylidene-~{N}-(4-sulfamoylphenyl)-2-(thiophen-2-ylmethylidene)butanamide

Chemical Descriptors

TypeProgramVersionDescriptor
SMILESACDLabs12.01c1csc(c1)[C@H]=C(C(=O)Nc2ccc(cc2)S(N)(=O)=O)C(C)=O
InChIInChI1.03InChI=1S/C15H14N2O4S2/c1-10(18)14(9-12-3-2-8-22-12)15(19)17-11-4-6-13(7-5-11)23(16,20)21/h2-9H,1H3,(H,17,19)(H2,16,20,21)/b14-9-
InChIKeyInChI1.03YMJYNNBBJGHAJE-ZROIWOOFSA-N
SMILES_CANONICALCACTVS3.385CC(=O)\C(=C\c1sccc1)C(=O)Nc2ccc(cc2)[S](N)(=O)=O
SMILESCACTVS3.385CC(=O)C(=Cc1sccc1)C(=O)Nc2ccc(cc2)[S](N)(=O)=O
SMILES_CANONICALOpenEye OEToolkits2.0.7CC(=O)/C(=C/c1cccs1)/C(=O)Nc2ccc(cc2)S(=O)(=O)N
SMILESOpenEye OEToolkits2.0.7CC(=O)C(=Cc1cccs1)C(=O)Nc2ccc(cc2)S(=O)(=O)N

227111

数据于2024-11-06公开中

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