3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-N-methyl-N-(phenylmethyl)propanamide

Systemtic Name: 3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-N-methyl-N-(phenylmethyl)propanamide Openeye Name: N-benzyl-3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-yl-pyrimidin-4-yl]oxy-N-methyl-propanamide CAS Name: 3-[[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(2-pyrimidinyl)-4-pyrimidinyl]oxy]-N-methyl-N-(phenylmethyl)propanamide IUPAC Name: N-benzyl-3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-pyrimidin-2-ylpyrimidin-4-yl]oxy-N-methylpropanamide Traditional Name: N-benzyl-3-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(2-methoxyphenoxy)-2-(2-pyrimidyl)pyrimidin-4-yl]oxy-N-methyl-propionamide Formula: C36H38N6O6S MolecularWeight: 682.78852

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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)C3=NC=CC=N3)OCCC(=O)N(C)CC4=CC=CC=C4)OC5=CC=CC=C5OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)C3=NC=CC=N3)OCCC(=O)N(C)CC4=CC=CC=C4)OC5=CC=CC=C5OC

InChI

InChI=1S/C36H38N6O6S/c1-36(2,3)26-16-18-27(19-17-26)49(44,45)41-32-31(48-29-15-10-9-14-28(29)46-5)35(40-34(39-32)33-37-21-11-22-38-33)47-23-20-30(43)42(4)24-25-12-7-6-8-13-25/h6-19,21-22H,20,23-24H2,1-5H3,(H,39,40,41)