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

Systemtic Name: 3-fluoranyl-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Openeye Name: 3-fluoro-N-[4-[(4-methyl-6-pyrrolidin-1-yl-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide CAS Name: 3-fluoro-N-[4-[[4-methyl-6-(1-pyrrolidinyl)-2-pyrimidinyl]amino]phenyl]benzenesulfonamide IUPAC Name: 3-fluoro-N-[4-[(4-methyl-6-pyrrolidin-1-ylpyrimidin-2-yl)amino]phenyl]benzenesulfonamide Traditional Name: 3-fluoro-N-[4-[(4-methyl-6-pyrrolidino-pyrimidin-2-yl)amino]phenyl]benzenesulfonamide Formula: C21H22FN5O2S MolecularWeight: 427.495083

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22FN5O2S/c1-15-13-20(27-11-2-3-12-27)25-21(23-15)24-17-7-9-18(10-8-17)26-30(28,29)19-6-4-5-16(22)14-19/h4-10,13-14,26H,2-3,11-12H2,1H3,(H,23,24,25)