N-[6-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide

Systemtic Name: N-[6-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-methylsulfanyl-pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide CAS Name: N-[6-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-5-(2-methoxyphenoxy)-2-(methylthio)-4-pyrimidinyl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-methylsulfanylpyrimidin-4-yl]-4-tert-butylbenzenesulfonamide Traditional Name: N-[6-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-5-(2-methoxyphenoxy)-2-(methylthio)pyrimidin-4-yl]-4-tert-butyl-benzenesulfonamide Formula: C28H30BrN5O6S2 MolecularWeight: 676.6017

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)SC)OCCOC3=NC=C(C=N3)Br)OC4=CC=CC=C4OC

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC(=N2)SC)OCCOC3=NC=C(C=N3)Br)OC4=CC=CC=C4OC

InChI

InChI=1S/C28H30BrN5O6S2/c1-28(2,3)18-10-12-20(13-11-18)42(35,36)34-24-23(40-22-9-7-6-8-21(22)37-4)25(33-27(32-24)41-5)38-14-15-39-26-30-16-19(29)17-31-26/h6-13,16-17H,14-15H2,1-5H3,(H,32,33,34)