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

Systemtic Name: N-[2-[3-(3-chlorophenyl)prop-2-ynylsulfanyl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[3-(3-chlorophenyl)prop-2-ynylsulfanyl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[3-(3-chlorophenyl)prop-2-ynylthio]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[3-(3-chlorophenyl)prop-2-ynylsulfanyl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[3-(3-chlorophenyl)prop-2-ynylthio]phenyl]-4-methyl-benzenesulfonamide Formula: C22H18ClNO2S2 MolecularWeight: 427.96682

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC#CC3=CC(=CC=C3)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC#CC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H18ClNO2S2/c1-17-11-13-20(14-12-17)28(25,26)24-21-9-2-3-10-22(21)27-15-5-7-18-6-4-8-19(23)16-18/h2-4,6,8-14,16,24H,15H2,1H3