4-butoxy-N-[4-[[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]amino]phenyl]benzenesulfonamide

Systemtic Name: 4-butoxy-N-[4-[[4-methyl-6-[(4-methylphenyl)amino]pyrimidin-2-yl]amino]phenyl]benzenesulfonamide Openeye Name: 4-butoxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzenesulfonamide CAS Name: 4-butoxy-N-[4-[[4-methyl-6-(4-methylanilino)-2-pyrimidinyl]amino]phenyl]benzenesulfonamide IUPAC Name: 4-butoxy-N-[4-[[4-methyl-6-(4-methylanilino)pyrimidin-2-yl]amino]phenyl]benzenesulfonamide Traditional Name: 4-butoxy-N-[4-[[4-methyl-6-(p-toluidino)pyrimidin-2-yl]amino]phenyl]benzenesulfonamide Formula: C28H31N5O3S MolecularWeight: 517.64244

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)NC4=CC=C(C=C4)C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)NC4=CC=C(C=C4)C)C

InChI

InChI=1S/C28H31N5O3S/c1-4-5-18-36-25-14-16-26(17-15-25)37(34,35)33-24-12-10-23(11-13-24)31-28-29-21(3)19-27(32-28)30-22-8-6-20(2)7-9-22/h6-17,19,33H,4-5,18H2,1-3H3,(H2,29,30,31,32)