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

Systemtic Name: N-[4-[(6-ethoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[4-[(6-ethoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]-3-fluoro-benzenesulfonamide CAS Name: N-[4-[(6-ethoxy-2-methyl-4-pyrimidinyl)amino]phenyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[4-[(6-ethoxy-2-methylpyrimidin-4-yl)amino]phenyl]-3-fluorobenzenesulfonamide Traditional Name: N-[4-[(6-ethoxy-2-methyl-pyrimidin-4-yl)amino]phenyl]-3-fluoro-benzenesulfonamide Formula: C19H19FN4O3S MolecularWeight: 402.442563

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NC(=NC(=C1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C

Isomeric SMILES

CCOC1=NC(=NC(=C1)NC2=CC=C(C=C2)NS(=O)(=O)C3=CC=CC(=C3)F)C

InChI

InChI=1S/C19H19FN4O3S/c1-3-27-19-12-18(21-13(2)22-19)23-15-7-9-16(10-8-15)24-28(25,26)17-6-4-5-14(20)11-17/h4-12,24H,3H2,1-2H3,(H,21,22,23)