2-[[5-bromanyl-2-[[2-methoxy-5-(4-oxidanylpiperidin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide

Systemtic Name: 2-[[5-bromanyl-2-[[2-methoxy-5-(4-oxidanylpiperidin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide Openeye Name: 2-[[5-bromo-2-[5-(4-hydroxy-1-piperidyl)-2-methoxy-anilino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide CAS Name: 2-[[5-bromo-2-[5-(4-hydroxy-1-piperidinyl)-2-methoxyanilino]-4-pyrimidinyl]amino]-N-methylbenzenesulfonamide IUPAC Name: 2-[[5-bromo-2-[5-(4-hydroxypiperidin-1-yl)-2-methoxyanilino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide Traditional Name: 2-[[5-bromo-2-[5-(4-hydroxypiperidino)-2-methoxy-anilino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide Formula: C23H27BrN6O4S MolecularWeight: 563.46728

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=C(C=CC(=C3)N4CCC(CC4)O)OC

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=C(C=CC(=C3)N4CCC(CC4)O)OC

InChI

InChI=1S/C23H27BrN6O4S/c1-25-35(32,33)21-6-4-3-5-18(21)27-22-17(24)14-26-23(29-22)28-19-13-15(7-8-20(19)34-2)30-11-9-16(31)10-12-30/h3-8,13-14,16,25,31H,9-12H2,1-2H3,(H2,26,27,28,29)