2-[2-hydroxyethyloxy-[5-(4-methoxyphenyl)pyrimidin-4-yl]methyl]sulfanylbenzenesulfonamide

Systemtic Name: 2-[2-hydroxyethyloxy-[5-(4-methoxyphenyl)pyrimidin-4-yl]methyl]sulfanylbenzenesulfonamide Openeye Name: 2-[2-hydroxyethoxy-[5-(4-methoxyphenyl)pyrimidin-4-yl]methyl]sulfanylbenzenesulfonamide CAS Name: 2-[[2-hydroxyethoxy-[5-(4-methoxyphenyl)-4-pyrimidinyl]methyl]thio]benzenesulfonamide IUPAC Name: 2-[2-hydroxyethoxy-[5-(4-methoxyphenyl)pyrimidin-4-yl]methyl]sulfanylbenzenesulfonamide Traditional Name: 2-[[2-hydroxyethoxy-[5-(4-methoxyphenyl)pyrimidin-4-yl]methyl]thio]benzenesulfonamide Formula: C20H21N3O5S2 MolecularWeight: 447.52784

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CN=CN=C2C(OCCO)SC3=CC=CC=C3S(=O)(=O)N

Isomeric SMILES

COC1=CC=C(C=C1)C2=CN=CN=C2C(OCCO)SC3=CC=CC=C3S(=O)(=O)N

InChI

InChI=1S/C20H21N3O5S2/c1-27-15-8-6-14(7-9-15)16-12-22-13-23-19(16)20(28-11-10-24)29-17-4-2-3-5-18(17)30(21,25)26/h2-9,12-13,20,24H,10-11H2,1H3,(H2,21,25,26)