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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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