4-[2-(3-fluorophenyl)ethynyl]-N-[2-(hexanoylsulfamoyl)phenyl]benzamide

Systemtic Name: 4-[2-(3-fluorophenyl)ethynyl]-N-[2-(hexanoylsulfamoyl)phenyl]benzamide Openeye Name: 4-[2-(3-fluorophenyl)ethynyl]-N-[2-(hexanoylsulfamoyl)phenyl]benzamide CAS Name: 4-[2-(3-fluorophenyl)ethynyl]-N-[2-(1-oxohexylsulfamoyl)phenyl]benzamide IUPAC Name: 4-[2-(3-fluorophenyl)ethynyl]-N-[2-(hexanoylsulfamoyl)phenyl]benzamide Traditional Name: N-[2-(caproylsulfamoyl)phenyl]-4-[2-(3-fluorophenyl)ethynyl]benzamide Formula: C27H25FN2O4S MolecularWeight: 492.561803

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(=O)NS(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C#CC3=CC(=CC=C3)F

Isomeric SMILES

CCCCCC(=O)NS(=O)(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)C#CC3=CC(=CC=C3)F

InChI

InChI=1S/C27H25FN2O4S/c1-2-3-4-12-26(31)30-35(33,34)25-11-6-5-10-24(25)29-27(32)22-17-15-20(16-18-22)13-14-21-8-7-9-23(28)19-21/h5-11,15-19H,2-4,12H2,1H3,(H,29,32)(H,30,31)