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

Systemtic Name: 2-[[5-bromanyl-2-[[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)phenyl]amino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide Openeye Name: 2-[[5-bromo-2-[2-methoxy-4-[4-(1-piperidyl)-1-piperidyl]anilino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide CAS Name: 2-[[5-bromo-2-[2-methoxy-4-[4-(1-piperidinyl)-1-piperidinyl]anilino]-4-pyrimidinyl]amino]-N-methylbenzenesulfonamide IUPAC Name: 2-[[5-bromo-2-[2-methoxy-4-(4-piperidin-1-ylpiperidin-1-yl)anilino]pyrimidin-4-yl]amino]-N-methylbenzenesulfonamide Traditional Name: 2-[[5-bromo-2-[2-methoxy-4-(4-piperidinopiperidino)anilino]pyrimidin-4-yl]amino]-N-methyl-benzenesulfonamide Formula: C28H36BrN7O3S MolecularWeight: 630.59954

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Descriptors Computed from Structure

Canonical SMILES:

CNS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCCCC5)OC

Isomeric SMILES

CNS(=O)(=O)C1=CC=CC=C1NC2=NC(=NC=C2Br)NC3=C(C=C(C=C3)N4CCC(CC4)N5CCCCC5)OC

InChI

InChI=1S/C28H36BrN7O3S/c1-30-40(37,38)26-9-5-4-8-24(26)32-27-22(29)19-31-28(34-27)33-23-11-10-21(18-25(23)39-2)36-16-12-20(13-17-36)35-14-6-3-7-15-35/h4-5,8-11,18-20,30H,3,6-7,12-17H2,1-2H3,(H2,31,32,33,34)