methyl 3-[2-[3-(phenylsulfonylamino)phenyl]ethynyl]benzoate

Systemtic Name: methyl 3-[2-[3-(phenylsulfonylamino)phenyl]ethynyl]benzoate Openeye Name: methyl 3-[2-[3-(benzenesulfonamido)phenyl]ethynyl]benzoate CAS Name: 3-[2-[3-(benzenesulfonamido)phenyl]ethynyl]benzoic acid methyl ester IUPAC Name: methyl 3-[2-[3-(benzenesulfonamido)phenyl]ethynyl]benzoate Traditional Name: 3-[2-[3-(benzenesulfonamido)phenyl]ethynyl]benzoic acid methyl ester Formula: C22H17NO4S MolecularWeight: 391.43968

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=CC(=C1)C#CC2=CC(=CC=C2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H17NO4S/c1-27-22(24)19-9-5-7-17(15-19)13-14-18-8-6-10-20(16-18)23-28(25,26)21-11-3-2-4-12-21/h2-12,15-16,23H,1H3