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

Systemtic Name: 2-(2-hydroxyethyloxy)-3-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-6-pyrimidin-4-yl-benzenesulfonamide Openeye Name: 2-(2-hydroxyethoxy)-3-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-6-pyrimidin-4-yl-benzenesulfonamide CAS Name: 2-(2-hydroxyethoxy)-3-[(2-methoxyphenyl)methyl]-4-(methylthio)-6-(4-pyrimidinyl)benzenesulfonamide IUPAC Name: 2-(2-hydroxyethoxy)-3-[(2-methoxyphenyl)methyl]-4-methylsulfanyl-6-pyrimidin-4-ylbenzenesulfonamide Traditional Name: 2-(2-hydroxyethoxy)-4-(methylthio)-3-o-anisyl-6-(4-pyrimidyl)benzenesulfonamide Formula: C21H23N3O5S2 MolecularWeight: 461.55442

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC=C1CC2=C(C=C(C(=C2OCCO)S(=O)(=O)N)C3=NC=NC=C3)SC

Isomeric SMILES

COC1=CC=CC=C1CC2=C(C=C(C(=C2OCCO)S(=O)(=O)N)C3=NC=NC=C3)SC

InChI

InChI=1S/C21H23N3O5S2/c1-28-18-6-4-3-5-14(18)11-16-19(30-2)12-15(17-7-8-23-13-24-17)21(31(22,26)27)20(16)29-10-9-25/h3-8,12-13,25H,9-11H2,1-2H3,(H2,22,26,27)