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

Systemtic Name: 4-bromanyl-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Openeye Name: 4-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide CAS Name: 4-bromo-N-[4-[[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]amino]phenyl]benzenesulfonamide IUPAC Name: 4-bromo-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide Traditional Name: 4-bromo-N-[4-[(4-methyl-6-pyrrolidino-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Formula: C21H22BrN5O2S MolecularWeight: 488.40068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)N4CCCC4

Isomeric SMILES

CC1=CC(=NC(=N1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=C(C=C3)Br)N4CCCC4

InChI

InChI=1S/C21H22BrN5O2S/c1-15-14-20(27-12-2-3-13-27)25-21(23-15)24-17-6-8-18(9-7-17)26-30(28,29)19-10-4-16(22)5-11-19/h4-11,14,26H,2-3,12-13H2,1H3,(H,23,24,25)