4-methyl-N-[2-[3-(4-methylphenyl)prop-2-ynylsulfanyl]phenyl]benzenesulfonamide

Systemtic Name: 4-methyl-N-[2-[3-(4-methylphenyl)prop-2-ynylsulfanyl]phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-[3-(p-tolyl)prop-2-ynylsulfanyl]phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[3-(4-methylphenyl)prop-2-ynylthio]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-[3-(4-methylphenyl)prop-2-ynylsulfanyl]phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-[3-(p-tolyl)prop-2-ynylthio]phenyl]benzenesulfonamide Formula: C23H21NO2S2 MolecularWeight: 407.54834

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C#CCSC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CC1=CC=C(C=C1)C#CCSC2=CC=CC=C2NS(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C23H21NO2S2/c1-18-9-13-20(14-10-18)6-5-17-27-23-8-4-3-7-22(23)24-28(25,26)21-15-11-19(2)12-16-21/h3-4,7-16,24H,17H2,1-2H3