3-[4-[[3-(2-phenylethynyl)phenyl]sulfamoyl]phenyl]propanoate

Systemtic Name: 3-[4-[[3-(2-phenylethynyl)phenyl]sulfamoyl]phenyl]propanoate Openeye Name: 3-[4-[[3-(2-phenylethynyl)phenyl]sulfamoyl]phenyl]propanoate CAS Name: 3-[4-[[3-(2-phenylethynyl)phenyl]sulfamoyl]phenyl]propanoate IUPAC Name: 3-[4-[[3-(2-phenylethynyl)phenyl]sulfamoyl]phenyl]propanoate Traditional Name: 3-[4-[[3-(2-phenylethynyl)phenyl]sulfamoyl]phenyl]propionate Formula: C23H18NO4S- MolecularWeight: 404.45832

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)C#CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)CCC(=O)[O-]

InChI

InChI=1S/C23H19NO4S/c25-23(26)16-13-19-11-14-22(15-12-19)29(27,28)24-21-8-4-7-20(17-21)10-9-18-5-2-1-3-6-18/h1-8,11-12,14-15,17,24H,13,16H2,(H,25,26)/p-1