N-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenyl]-3-nitro-benzenesulfonamide

Systemtic Name: N-[4-[4-azanyl-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoranyl-phenyl]-3-nitro-benzenesulfonamide Openeye Name: N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-3-nitro-benzenesulfonamide CAS Name: N-[4-[4-amino-1-[4-(4-methyl-1-piperazinyl)cyclohexyl]-3-pyrazolo[3,4-d]pyrimidinyl]-2-fluorophenyl]-3-nitrobenzenesulfonamide IUPAC Name: N-[4-[4-amino-1-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluorophenyl]-3-nitrobenzenesulfonamide Traditional Name: N-[4-[4-amino-1-[4-(4-methylpiperazino)cyclohexyl]pyrazolo[3,4-d]pyrimidin-3-yl]-2-fluoro-phenyl]-3-nitro-benzenesulfonamide Formula: C28H32FN9O4S MolecularWeight: 609.674983

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NS(=O)(=O)C6=CC=CC(=C6)[N+](=O)[O-])F)C(=NC=N4)N

Isomeric SMILES

CN1CCN(CC1)C2CCC(CC2)N3C4=C(C(=N3)C5=CC(=C(C=C5)NS(=O)(=O)C6=CC=CC(=C6)[N+](=O)[O-])F)C(=NC=N4)N

InChI

InChI=1S/C28H32FN9O4S/c1-35-11-13-36(14-12-35)19-6-8-20(9-7-19)37-28-25(27(30)31-17-32-28)26(33-37)18-5-10-24(23(29)15-18)34-43(41,42)22-4-2-3-21(16-22)38(39)40/h2-5,10,15-17,19-20,34H,6-9,11-14H2,1H3,(H2,30,31,32)