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

Systemtic Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(3-methoxyphenoxy)pyrimidin-4-yl]oxyethylazanium chloride Openeye Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(3-methoxyphenoxy)pyrimidin-4-yl]oxyethylammonium chloride CAS Name: 2-[[6-[(4-tert-butylphenyl)sulfonylamino]-5-(3-methoxyphenoxy)-4-pyrimidinyl]oxy]ethylammonium chloride IUPAC Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(3-methoxyphenoxy)pyrimidin-4-yl]oxyethylazanium chloride Traditional Name: 2-[6-[(4-tert-butylphenyl)sulfonylamino]-5-(3-methoxyphenoxy)pyrimidin-4-yl]oxyethylammonium chloride Formula: C23H29ClN4O5S MolecularWeight: 509.01816

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[NH3+])OC3=CC(=CC=C3)OC.[Cl-]

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC2=C(C(=NC=N2)OCC[NH3+])OC3=CC(=CC=C3)OC.[Cl-]

InChI

InChI=1S/C23H28N4O5S.ClH/c1-23(2,3)16-8-10-19(11-9-16)33(28,29)27-21-20(22(26-15-25-21)31-13-12-24)32-18-7-5-6-17(14-18)30-4;/h5-11,14-15H,12-13,24H2,1-4H3,(H,25,26,27);1H