3-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide

Systemtic Name: 3-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Openeye Name: 3-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide CAS Name: 3-methyl-N-[4-[[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]amino]phenyl]benzenesulfonamide IUPAC Name: 3-methyl-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide Traditional Name: 3-methyl-N-[4-[(4-methyl-6-pyrrolidino-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Formula: C22H25N5O2S MolecularWeight: 423.5312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)N4CCCC4)C

Isomeric SMILES

CC1=CC(=CC=C1)S(=O)(=O)NC2=CC=C(C=C2)NC3=NC(=CC(=N3)N4CCCC4)C

InChI

InChI=1S/C22H25N5O2S/c1-16-6-5-7-20(14-16)30(28,29)26-19-10-8-18(9-11-19)24-22-23-17(2)15-21(25-22)27-12-3-4-13-27/h5-11,14-15,26H,3-4,12-13H2,1-2H3,(H,23,24,25)