sodium 4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide

Systemtic Name: sodium 4-tert-butyl-N-[6-(2-hydroxyethyloxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide Openeye Name: sodium 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide CAS Name: sodium 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: sodium 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide Traditional Name: sodium 4-tert-butyl-N-[6-(2-hydroxyethoxy)-5-(2-methoxyphenoxy)pyrimidin-4-yl]benzenesulfonamide Formula: C23H27N3NaO6S+ MolecularWeight: 496.53175

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCO)OC3=CC=CC=C3OC.[Na+]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCCO)OC3=CC=CC=C3OC.[Na+]

InChI

InChI=1S/C23H27N3O6S.Na/c1-23(2,3)16-9-11-17(12-10-16)33(28,29)26-21-20(22(25-15-24-21)31-14-13-27)32-19-8-6-5-7-18(19)30-4;/h5-12,15,27H,13-14H2,1-4H3,(H,24,25,26);/q;+1