3-[[5-fluoranyl-4-[1H-indazol-4-yl(3-methoxypropyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[5-fluoranyl-4-[1H-indazol-4-yl(3-methoxypropyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-fluoro-4-[1H-indazol-4-yl(3-methoxypropyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[5-fluoro-4-[1H-indazol-4-yl(3-methoxypropyl)amino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-fluoro-4-[1H-indazol-4-yl(3-methoxypropyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[5-fluoro-4-[1H-indazol-4-yl(3-methoxypropyl)amino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C21H22FN7O3S MolecularWeight: 471.507883

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN(C1=CC=CC2=C1C=NN2)C3=NC(=NC=C3F)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

COCCCN(C1=CC=CC2=C1C=NN2)C3=NC(=NC=C3F)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C21H22FN7O3S/c1-32-10-4-9-29(19-8-3-7-18-16(19)12-25-28-18)20-17(22)13-24-21(27-20)26-14-5-2-6-15(11-14)33(23,30)31/h2-3,5-8,11-13H,4,9-10H2,1H3,(H,25,28)(H2,23,30,31)(H,24,26,27)