N-[4-[4-azanyl-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenyl]-2-chloranyl-4-fluoranyl-benzenesulfonamide

Systemtic Name: N-[4-[4-azanyl-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenyl]-2-chloranyl-4-fluoranyl-benzenesulfonamide Openeye Name: N-[4-[4-amino-1-[1-(1-methyl-4-piperidyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-2-chloro-4-fluoro-benzenesulfonamide CAS Name: N-[4-[4-amino-1-[1-(1-methyl-4-piperidinyl)-4-piperidinyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide IUPAC Name: N-[4-[4-amino-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]-2-chloro-4-fluorobenzenesulfonamide Traditional Name: N-[4-[4-amino-1-[1-(1-methyl-4-piperidyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-2-chloro-4-fluoro-benzenesulfonamide Formula: C28H31ClF2N8O2S MolecularWeight: 617.112946

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCC(CC1)N2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NS(=O)(=O)C6=C(C=C(C=C6)F)Cl)F)C(=NC=N4)N

Isomeric SMILES

CN1CCC(CC1)N2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NS(=O)(=O)C6=C(C=C(C=C6)F)Cl)F)C(=NC=N4)N

InChI

InChI=1S/C28H31ClF2N8O2S/c1-37-10-6-19(7-11-37)38-12-8-20(9-13-38)39-28-25(27(32)33-16-34-28)26(35-39)17-2-4-23(22(31)14-17)36-42(40,41)24-5-3-18(30)15-21(24)29/h2-5,14-16,19-20,36H,6-13H2,1H3,(H2,32,33,34)