N-[2-(3,3-dimethylbut-1-ynyl)phenyl]-N-ethynyl-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-(3,3-dimethylbut-1-ynyl)phenyl]-N-ethynyl-4-methyl-benzenesulfonamide Openeye Name: N-[2-(3,3-dimethylbut-1-ynyl)phenyl]-N-ethynyl-4-methyl-benzenesulfonamide CAS Name: N-[2-(3,3-dimethylbut-1-ynyl)phenyl]-N-ethynyl-4-methylbenzenesulfonamide IUPAC Name: N-[2-(3,3-dimethylbut-1-ynyl)phenyl]-N-ethynyl-4-methylbenzenesulfonamide Traditional Name: N-[2-(3,3-dimethylbut-1-ynyl)phenyl]-N-ethynyl-4-methyl-benzenesulfonamide Formula: C21H21NO2S MolecularWeight: 351.46194

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(C#C)C2=CC=CC=C2C#CC(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(C#C)C2=CC=CC=C2C#CC(C)(C)C

InChI

InChI=1S/C21H21NO2S/c1-6-22(25(23,24)19-13-11-17(2)12-14-19)20-10-8-7-9-18(20)15-16-21(3,4)5/h1,7-14H,2-5H3