4-methyl-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-(2-phenylethynyl)phenyl]benzenesulfonamide Formula: C21H17NO2S MolecularWeight: 347.43018

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C#CC3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2C#CC3=CC=CC=C3

InChI

InChI=1S/C21H17NO2S/c1-17-11-15-20(16-12-17)25(23,24)22-21-10-6-5-9-19(21)14-13-18-7-3-2-4-8-18/h2-12,15-16,22H,1H3