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

Systemtic Name: 3-fluoranyl-N-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]benzenesulfonamide Openeye Name: 3-fluoro-N-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]benzenesulfonamide CAS Name: 3-fluoro-N-[4-[(2-methyl-6-propoxy-4-pyrimidinyl)amino]phenyl]benzenesulfonamide IUPAC Name: 3-fluoro-N-[4-[(2-methyl-6-propoxypyrimidin-4-yl)amino]phenyl]benzenesulfonamide Traditional Name: 3-fluoro-N-[4-[(2-methyl-6-propoxy-pyrimidin-4-yl)amino]phenyl]benzenesulfonamide Formula: C20H21FN4O3S MolecularWeight: 416.469143

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=NC(=NC(=C1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C

Isomeric SMILES

CCCOC1=NC(=NC(=C1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C

InChI

InChI=1S/C20H21FN4O3S/c1-3-11-28-20-13-19(22-14(2)23-20)24-16-7-9-17(10-8-16)25-29(26,27)18-6-4-5-15(21)12-18/h4-10,12-13,25H,3,11H2,1-2H3,(H,22,23,24)