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

Systemtic Name: N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-3-fluoranyl-benzenesulfonamide Openeye Name: N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-3-fluoro-benzenesulfonamide CAS Name: N-[4-[[4-(dimethylamino)-6-methyl-2-pyrimidinyl]amino]phenyl]-3-fluorobenzenesulfonamide IUPAC Name: N-[4-[[4-(dimethylamino)-6-methylpyrimidin-2-yl]amino]phenyl]-3-fluorobenzenesulfonamide Traditional Name: N-[4-[[4-(dimethylamino)-6-methyl-pyrimidin-2-yl]amino]phenyl]-3-fluoro-benzenesulfonamide Formula: C19H20FN5O2S MolecularWeight: 401.457803

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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)N(C)C

Isomeric SMILES

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

InChI

InChI=1S/C19H20FN5O2S/c1-13-11-18(25(2)3)23-19(21-13)22-15-7-9-16(10-8-15)24-28(26,27)17-6-4-5-14(20)12-17/h4-12,24H,1-3H3,(H,21,22,23)