sodium 4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide

Systemtic Name: sodium 4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide Openeye Name: sodium 4-tert-butyl-N-[6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]-5-(p-tolyl)pyrimidin-4-yl]benzenesulfonamide CAS Name: sodium 4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-[[5-(methylthio)-2-pyrimidinyl]oxy]ethoxy]-4-pyrimidinyl]benzenesulfonamide IUPAC Name: sodium 4-tert-butyl-N-[5-(4-methylphenyl)-6-[2-(5-methylsulfanylpyrimidin-2-yl)oxyethoxy]pyrimidin-4-yl]benzenesulfonamide Traditional Name: sodium 4-tert-butyl-N-[6-[2-[5-(methylthio)pyrimidin-2-yl]oxyethoxy]-5-(p-tolyl)pyrimidin-4-yl]benzenesulfonamide Formula: C28H31N5NaO4S2+ MolecularWeight: 588.69661

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=CN=C2OCCOC3=NC=C(C=N3)SC)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C.[Na+]

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=CN=C2OCCOC3=NC=C(C=N3)SC)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C.[Na+]

InChI

InChI=1S/C28H31N5O4S2.Na/c1-19-6-8-20(9-7-19)24-25(33-39(34,35)23-12-10-21(11-13-23)28(2,3)4)31-18-32-26(24)36-14-15-37-27-29-16-22(38-5)17-30-27;/h6-13,16-18H,14-15H2,1-5H3,(H,31,32,33);/q;+1