hexyl 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxypropanoate

Systemtic Name: hexyl 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxypropanoate Openeye Name: hexyl 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxypropanoate CAS Name: 3-[[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]oxy]propanoic acid hexyl ester IUPAC Name: hexyl 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxypropanoate Traditional Name: 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(2-pyrimidyl)pyrimidin-4-yl]oxypropionic acid hexyl ester Formula: C34H41N5O7S MolecularWeight: 663.78364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCOC(=O)CCOC1=NC(=NC(=C1OC2=CC=CC=C2OC)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C4=NC=CC=N4

Isomeric SMILES

CCCCCCOC(=O)CCOC1=NC(=NC(=C1OC2=CC=CC=C2OC)NS(=O)(=O)C3=CC=C(C=C3)C(C)(C)C)C4=NC=CC=N4

InChI

InChI=1S/C34H41N5O7S/c1-6-7-8-11-22-44-28(40)19-23-45-33-29(46-27-14-10-9-13-26(27)43-5)30(37-32(38-33)31-35-20-12-21-36-31)39-47(41,42)25-17-15-24(16-18-25)34(2,3)4/h9-10,12-18,20-21H,6-8,11,19,22-23H2,1-5H3,(H,37,38,39)