N-[4-[(4-methyl-6-phenylazanyl-pyrimidin-2-yl)amino]phenyl]-4-phenoxy-benzenesulfonamide

Systemtic Name: N-[4-[(4-methyl-6-phenylazanyl-pyrimidin-2-yl)amino]phenyl]-4-phenoxy-benzenesulfonamide Openeye Name: N-[4-[(4-anilino-6-methyl-pyrimidin-2-yl)amino]phenyl]-4-phenoxy-benzenesulfonamide CAS Name: N-[4-[(4-anilino-6-methyl-2-pyrimidinyl)amino]phenyl]-4-phenoxybenzenesulfonamide IUPAC Name: N-[4-[(4-anilino-6-methylpyrimidin-2-yl)amino]phenyl]-4-phenoxybenzenesulfonamide Traditional Name: N-[4-[(4-anilino-6-methyl-pyrimidin-2-yl)amino]phenyl]-4-phenoxy-benzenesulfonamide Formula: C29H25N5O3S MolecularWeight: 523.6055

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)NC5=CC=CC=C5

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)OC4=CC=CC=C4)NC5=CC=CC=C5

InChI

InChI=1S/C29H25N5O3S/c1-21-20-28(31-22-8-4-2-5-9-22)33-29(30-21)32-23-12-14-24(15-13-23)34-38(35,36)27-18-16-26(17-19-27)37-25-10-6-3-7-11-25/h2-20,34H,1H3,(H2,30,31,32,33)