N-[6-(2-hydroxyethyloxy)-5-(4-methoxyphenyl)pyrimidin-4-yl]-4-methylsulfanyl-benzenesulfonamide

Systemtic Name: N-[6-(2-hydroxyethyloxy)-5-(4-methoxyphenyl)pyrimidin-4-yl]-4-methylsulfanyl-benzenesulfonamide Openeye Name: N-[6-(2-hydroxyethoxy)-5-(4-methoxyphenyl)pyrimidin-4-yl]-4-methylsulfanyl-benzenesulfonamide CAS Name: N-[6-(2-hydroxyethoxy)-5-(4-methoxyphenyl)-4-pyrimidinyl]-4-(methylthio)benzenesulfonamide IUPAC Name: N-[6-(2-hydroxyethoxy)-5-(4-methoxyphenyl)pyrimidin-4-yl]-4-methylsulfanylbenzenesulfonamide Traditional Name: N-[6-(2-hydroxyethoxy)-5-(4-methoxyphenyl)pyrimidin-4-yl]-4-(methylthio)benzenesulfonamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(N=CN=C2OCCO)NS(=O)(=O)C3=CC=C(C=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(N=CN=C2OCCO)NS(=O)(=O)C3=CC=C(C=C3)SC

InChI

InChI=1S/C20H21N3O5S2/c1-27-15-5-3-14(4-6-15)18-19(21-13-22-20(18)28-12-11-24)23-30(25,26)17-9-7-16(29-2)8-10-17/h3-10,13,24H,11-12H2,1-2H3,(H,21,22,23)