3-[[5-fluoranyl-4-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]amino]pyrimidin-2-yl]amino]benzenesulfonamide

Systemtic Name: 3-[[5-fluoranyl-4-[[4-(4-methylpiperazin-1-yl)carbonylphenyl]amino]pyrimidin-2-yl]amino]benzenesulfonamide Openeye Name: 3-[[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide CAS Name: 3-[[5-fluoro-4-[4-[(4-methyl-1-piperazinyl)-oxomethyl]anilino]-2-pyrimidinyl]amino]benzenesulfonamide IUPAC Name: 3-[[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide Traditional Name: 3-[[5-fluoro-4-[4-(4-methylpiperazine-1-carbonyl)anilino]pyrimidin-2-yl]amino]benzenesulfonamide Formula: C22H24FN7O3S MolecularWeight: 485.534463

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC=C3F)NC4=CC(=CC=C4)S(=O)(=O)N

Isomeric SMILES

CN1CCN(CC1)C(=O)C2=CC=C(C=C2)NC3=NC(=NC=C3F)NC4=CC(=CC=C4)S(=O)(=O)N

InChI

InChI=1S/C22H24FN7O3S/c1-29-9-11-30(12-10-29)21(31)15-5-7-16(8-6-15)26-20-19(23)14-25-22(28-20)27-17-3-2-4-18(13-17)34(24,32)33/h2-8,13-14H,9-12H2,1H3,(H2,24,32,33)(H2,25,26,27,28)