4-ethanoyl-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide

Systemtic Name: 4-ethanoyl-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide Openeye Name: 4-acetyl-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide CAS Name: 4-acetyl-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide IUPAC Name: 4-acetyl-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide Traditional Name: 4-acetyl-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide Formula: C22H17NO3S MolecularWeight: 375.44028

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=C3

InChI

InChI=1S/C22H17NO3S/c1-17(24)20-12-14-22(15-13-20)27(25,26)23-21-9-5-8-19(16-21)11-10-18-6-3-2-4-7-18/h2-9,12-16,23H,1H3