4-tert-butyl-2-(2-cyanopyridin-4-yl)-5-(2-methoxyphenoxy)-6-(2-phenylmethoxyethoxy)-3-pyrimidin-4-yl-benzenesulfonamide

Systemtic Name: 4-tert-butyl-2-(2-cyanopyridin-4-yl)-5-(2-methoxyphenoxy)-6-(2-phenylmethoxyethoxy)-3-pyrimidin-4-yl-benzenesulfonamide Openeye Name: 2-(2-benzyloxyethoxy)-4-tert-butyl-6-(2-cyano-4-pyridyl)-3-(2-methoxyphenoxy)-5-pyrimidin-4-yl-benzenesulfonamide CAS Name: 4-tert-butyl-2-(2-cyano-4-pyridinyl)-5-(2-methoxyphenoxy)-6-(2-phenylmethoxyethoxy)-3-(4-pyrimidinyl)benzenesulfonamide IUPAC Name: 4-tert-butyl-2-(2-cyanopyridin-4-yl)-5-(2-methoxyphenoxy)-6-(2-phenylmethoxyethoxy)-3-pyrimidin-4-ylbenzenesulfonamide Traditional Name: 2-(2-benzoxyethoxy)-4-tert-butyl-6-(2-cyano-4-pyridyl)-3-(2-methoxyphenoxy)-5-(4-pyrimidyl)benzenesulfonamide Formula: C36H35N5O6S MolecularWeight: 665.758

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=C(C(=C(C(=C1C2=NC=NC=C2)C3=CC(=NC=C3)C#N)S(=O)(=O)N)OCCOCC4=CC=CC=C4)OC5=CC=CC=C5OC

Isomeric SMILES

CC(C)(C)C1=C(C(=C(C(=C1C2=NC=NC=C2)C3=CC(=NC=C3)C#N)S(=O)(=O)N)OCCOCC4=CC=CC=C4)OC5=CC=CC=C5OC

InChI

InChI=1S/C36H35N5O6S/c1-36(2,3)32-31(27-15-16-39-23-41-27)30(25-14-17-40-26(20-25)21-37)35(48(38,42)43)34(33(32)47-29-13-9-8-12-28(29)44-4)46-19-18-45-22-24-10-6-5-7-11-24/h5-17,20,23H,18-19,22H2,1-4H3,(H2,38,42,43)