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

Systemtic Name: 3,4-dimethyl-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide Openeye Name: 3,4-dimethyl-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide CAS Name: 3,4-dimethyl-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide IUPAC Name: 3,4-dimethyl-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide Traditional Name: 3,4-dimethyl-N-[3-(2-phenylethynyl)phenyl]benzenesulfonamide Formula: C22H19NO2S MolecularWeight: 361.45676

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=C3)C

Isomeric SMILES

CC1=C(C=C(C=C1)S(=O)(=O)NC2=CC=CC(=C2)C#CC3=CC=CC=C3)C

InChI

InChI=1S/C22H19NO2S/c1-17-11-14-22(15-18(17)2)26(24,25)23-21-10-6-9-20(16-21)13-12-19-7-4-3-5-8-19/h3-11,14-16,23H,1-2H3