3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxy-2-methyl-2-pyrimidin-2-yl-propanoic acid

Systemtic Name: 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxy-2-methyl-2-pyrimidin-2-yl-propanoic acid Openeye Name: 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxy-2-methyl-2-pyrimidin-2-yl-propanoic acid CAS Name: 3-[[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-4-pyrimidinyl]oxy]-2-methyl-2-(2-pyrimidinyl)propanoic acid IUPAC Name: 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxy-2-methyl-2-pyrimidin-2-ylpropanoic acid Traditional Name: 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)pyrimidin-4-yl]oxy-2-methyl-2-(2-pyrimidyl)propionic acid Formula: C29H31N5O7S MolecularWeight: 593.65074

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCC(C)(C3=NC=CC=N3)C(=O)O)OC4=CC=CC=C4OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCC(C)(C3=NC=CC=N3)C(=O)O)OC4=CC=CC=C4OC

InChI

InChI=1S/C29H31N5O7S/c1-28(2,3)19-11-13-20(14-12-19)42(37,38)34-24-23(41-22-10-7-6-9-21(22)39-5)25(33-18-32-24)40-17-29(4,27(35)36)26-30-15-8-16-31-26/h6-16,18H,17H2,1-5H3,(H,35,36)(H,32,33,34)