2-(2-hydroxyethyloxy)-3-(4-methoxyphenyl)-4-methylsulfanyl-6-pyrimidin-4-yl-benzenesulfonamide

Systemtic Name: 2-(2-hydroxyethyloxy)-3-(4-methoxyphenyl)-4-methylsulfanyl-6-pyrimidin-4-yl-benzenesulfonamide Openeye Name: 2-(2-hydroxyethoxy)-3-(4-methoxyphenyl)-4-methylsulfanyl-6-pyrimidin-4-yl-benzenesulfonamide CAS Name: 2-(2-hydroxyethoxy)-3-(4-methoxyphenyl)-4-(methylthio)-6-(4-pyrimidinyl)benzenesulfonamide IUPAC Name: 2-(2-hydroxyethoxy)-3-(4-methoxyphenyl)-4-methylsulfanyl-6-pyrimidin-4-ylbenzenesulfonamide Traditional Name: 2-(2-hydroxyethoxy)-3-(4-methoxyphenyl)-4-(methylthio)-6-(4-pyrimidyl)benzenesulfonamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C(C=C(C(=C2OCCO)S(=O)(=O)N)C3=NC=NC=C3)SC

Isomeric SMILES

COC1=CC=C(C=C1)C2=C(C=C(C(=C2OCCO)S(=O)(=O)N)C3=NC=NC=C3)SC

InChI

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