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

Systemtic Name: 2-[[5-bromanyl-2-[[2-methoxy-5-(2-piperidin-1-ylethoxy)phenyl]amino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide Openeye Name: 2-[[5-bromo-2-[2-methoxy-5-[2-(1-piperidyl)ethoxy]anilino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide CAS Name: 2-[[5-bromo-2-[2-methoxy-5-[2-(1-piperidinyl)ethoxy]anilino]-4-pyrimidinyl]amino]-N-methylbenzenesulfonamide IUPAC Name: 2-[[5-bromo-2-[2-methoxy-5-(2-piperidin-1-ylethoxy)anilino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide Traditional Name: 2-[[5-bromo-2-[2-methoxy-5-(2-piperidinoethoxy)anilino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide Formula: C25H31BrN6O4S MolecularWeight: 591.52044

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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)OCCN4CCCCC4)OC

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=C(C=CC(=C3)OCCN4CCCCC4)OC

InChI

InChI=1S/C25H31BrN6O4S/c1-27-37(33,34)23-9-5-4-8-20(23)29-24-19(26)17-28-25(31-24)30-21-16-18(10-11-22(21)35-2)36-15-14-32-12-6-3-7-13-32/h4-5,8-11,16-17,27H,3,6-7,12-15H2,1-2H3,(H2,28,29,30,31)