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

Systemtic Name: 4-methyl-N-[2-[3-(2-methylphenyl)prop-2-ynylsulfanyl]phenyl]benzenesulfonamide Openeye Name: 4-methyl-N-[2-[3-(o-tolyl)prop-2-ynylsulfanyl]phenyl]benzenesulfonamide CAS Name: 4-methyl-N-[2-[3-(2-methylphenyl)prop-2-ynylthio]phenyl]benzenesulfonamide IUPAC Name: 4-methyl-N-[2-[3-(2-methylphenyl)prop-2-ynylsulfanyl]phenyl]benzenesulfonamide Traditional Name: 4-methyl-N-[2-[3-(o-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)S(=O)(=O)NC2=CC=CC=C2SCC#CC3=CC=CC=C3C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC#CC3=CC=CC=C3C

InChI

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