4-tert-butyl-N-[6-[4-(4,6-dimethoxypyrimidin-2-yl)oxybut-1-ynoxy]-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide

Systemtic Name: 4-tert-butyl-N-[6-[4-(4,6-dimethoxypyrimidin-2-yl)oxybut-1-ynoxy]-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide Openeye Name: 4-tert-butyl-N-[6-[4-(4,6-dimethoxypyrimidin-2-yl)oxybut-1-ynoxy]-5-(p-tolyl)pyrimidin-4-yl]benzenesulfonamide CAS Name: 4-tert-butyl-N-[6-[4-[(4,6-dimethoxy-2-pyrimidinyl)oxy]but-1-ynoxy]-5-(4-methylphenyl)-4-pyrimidinyl]benzenesulfonamide IUPAC Name: 4-tert-butyl-N-[6-[4-(4,6-dimethoxypyrimidin-2-yl)oxybut-1-ynoxy]-5-(4-methylphenyl)pyrimidin-4-yl]benzenesulfonamide Traditional Name: 4-tert-butyl-N-[6-[4-(4,6-dimethoxypyrimidin-2-yl)oxybut-1-ynoxy]-5-(p-tolyl)pyrimidin-4-yl]benzenesulfonamide Formula: C31H33N5O6S MolecularWeight: 603.68862

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C(N=CN=C2OC#CCCOC3=NC(=CC(=N3)OC)OC)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=C(N=CN=C2OC#CCCOC3=NC(=CC(=N3)OC)OC)NS(=O)(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C31H33N5O6S/c1-21-9-11-22(12-10-21)27-28(36-43(37,38)24-15-13-23(14-16-24)31(2,3)4)32-20-33-29(27)41-17-7-8-18-42-30-34-25(39-5)19-26(35-30)40-6/h9-16,19-20H,8,18H2,1-6H3,(H,32,33,36)