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

Systemtic Name: N-[4-bromanyl-2-(2-phenylethynyl)phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[4-bromo-2-(2-phenylethynyl)phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[4-bromo-2-(2-phenylethynyl)phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[4-bromo-2-(2-phenylethynyl)phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[4-bromo-2-(2-phenylethynyl)phenyl]-4-methyl-benzenesulfonamide Formula: C21H16BrNO2S MolecularWeight: 426.32624

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H16BrNO2S/c1-16-7-12-20(13-8-16)26(24,25)23-21-14-11-19(22)15-18(21)10-9-17-5-3-2-4-6-17/h2-8,11-15,23H,1H3