4-(2-phenylethynyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide

Systemtic Name: 4-(2-phenylethynyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide Openeye Name: 4-(2-phenylethynyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide CAS Name: 4-(2-phenylethynyl)-N-[4-(2-pyrimidinylsulfamoyl)phenyl]benzamide IUPAC Name: 4-(2-phenylethynyl)-N-[4-(pyrimidin-2-ylsulfamoyl)phenyl]benzamide Traditional Name: 4-(2-phenylethynyl)-N-[4-(2-pyrimidylsulfamoyl)phenyl]benzamide Formula: C25H18N4O3S MolecularWeight: 454.50042

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC=C(C=C2)C(=O)NC3=CC=C(C=C3)S(=O)(=O)NC4=NC=CC=N4

InChI

InChI=1S/C25H18N4O3S/c30-24(21-11-9-20(10-12-21)8-7-19-5-2-1-3-6-19)28-22-13-15-23(16-14-22)33(31,32)29-25-26-17-4-18-27-25/h1-6,9-18H,(H,28,30)(H,26,27,29)