N-[4-(1,3-benzodioxol-5-yl)-3-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-1,2-oxazol-5-yl]-4-tert-butyl-benzenesulfonamide

Systemtic Name: N-[4-(1,3-benzodioxol-5-yl)-3-[2-(5-bromanylpyrimidin-2-yl)oxyethoxy]-1,2-oxazol-5-yl]-4-tert-butyl-benzenesulfonamide Openeye Name: N-[4-(1,3-benzodioxol-5-yl)-3-[2-(5-bromopyrimidin-2-yl)oxyethoxy]isoxazol-5-yl]-4-tert-butyl-benzenesulfonamide CAS Name: N-[4-(1,3-benzodioxol-5-yl)-3-[2-[(5-bromo-2-pyrimidinyl)oxy]ethoxy]-5-isoxazolyl]-4-tert-butylbenzenesulfonamide IUPAC Name: N-[4-(1,3-benzodioxol-5-yl)-3-[2-(5-bromopyrimidin-2-yl)oxyethoxy]-1,2-oxazol-5-yl]-4-tert-butylbenzenesulfonamide Traditional Name: N-[4-(1,3-benzodioxol-5-yl)-3-[2-(5-bromopyrimidin-2-yl)oxyethoxy]isoxazol-5-yl]-4-tert-butyl-benzenesulfonamide Formula: C26H25BrN4O7S MolecularWeight: 617.4683

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(=NO2)OCCOC3=NC=C(C=N3)Br)C4=CC5=C(C=C4)OCO5

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NO2)OCCOC3=NC=C(C=N3)Br)C4=CC5=C(C=C4)OCO5

InChI

InChI=1S/C26H25BrN4O7S/c1-26(2,3)17-5-7-19(8-6-17)39(32,33)31-24-22(16-4-9-20-21(12-16)37-15-36-20)23(30-38-24)34-10-11-35-25-28-13-18(27)14-29-25/h4-9,12-14,31H,10-11,15H2,1-3H3