N-[2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynylsulfanyl]phenyl]-4-methyl-benzenesulfonamide

Systemtic Name: N-[2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynylsulfanyl]phenyl]-4-methyl-benzenesulfonamide Openeye Name: N-[2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynylsulfanyl]phenyl]-4-methyl-benzenesulfonamide CAS Name: N-[2-[3-(2,4-dimethoxy-5-pyrimidinyl)prop-2-ynylthio]phenyl]-4-methylbenzenesulfonamide IUPAC Name: N-[2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynylsulfanyl]phenyl]-4-methylbenzenesulfonamide Traditional Name: N-[2-[3-(2,4-dimethoxypyrimidin-5-yl)prop-2-ynylthio]phenyl]-4-methyl-benzenesulfonamide Formula: C22H21N3O4S2 MolecularWeight: 455.54984

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC#CC3=CN=C(N=C3OC)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC2=CC=CC=C2SCC#CC3=CN=C(N=C3OC)OC

InChI

InChI=1S/C22H21N3O4S2/c1-16-10-12-18(13-11-16)31(26,27)25-19-8-4-5-9-20(19)30-14-6-7-17-15-23-22(29-3)24-21(17)28-2/h4-5,8-13,15,25H,14H2,1-3H3