N-[4-[4-azanyl-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenyl]-2,6-bis(chloranyl)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]-2,6-bis(chloranyl)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]-2,6-dichloro-benzenesulfonamide CAS Name: N-[4-[4-amino-1-[1-(1-methyl-4-piperidinyl)-4-piperidinyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide IUPAC Name: N-[4-[4-amino-1-[1-(1-methylpiperidin-4-yl)piperidin-4-yl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]-2,6-dichlorobenzenesulfonamide Traditional Name: N-[4-[4-amino-1-[1-(1-methyl-4-piperidyl)-4-piperidyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-2,6-dichloro-benzenesulfonamide Formula: C28H31Cl2FN8O2S MolecularWeight: 633.567543

Click to see the large picture

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=CC=C6Cl)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=CC=C6Cl)Cl)F)C(=NC=N4)N

InChI

InChI=1S/C28H31Cl2FN8O2S/c1-37-11-7-18(8-12-37)38-13-9-19(10-14-38)39-28-24(27(32)33-16-34-28)25(35-39)17-5-6-23(22(31)15-17)36-42(40,41)26-20(29)3-2-4-21(26)30/h2-6,15-16,18-19,36H,7-14H2,1H3,(H2,32,33,34)