2-bromanyl-3-[5-isocyano-6-(1-methylsulfonylpiperidin-4-yl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzenecarbonitrile

Systemtic Name: 2-bromanyl-3-[5-isocyano-6-(1-methylsulfonylpiperidin-4-yl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzenecarbonitrile Openeye Name: 2-bromo-3-[5-isocyano-6-(1-methylsulfonyl-4-piperidyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile CAS Name: 2-bromo-3-[5-isocyano-6-(1-methylsulfonyl-4-piperidinyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile IUPAC Name: 2-bromo-3-[5-isocyano-6-(1-methylsulfonylpiperidin-4-yl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile Traditional Name: 2-bromo-3-[5-isocyano-6-(1-mesyl-4-piperidyl)-2,4-dihydro-1H-pyrazolo[3,4-b]pyridin-4-yl]benzonitrile Formula: C20H19BrN6O2S MolecularWeight: 487.37286

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCC(CC1)C2=C(C(C3=CNNC3=N2)C4=CC=CC(=C4Br)C#N)[N+]#[C-]

Isomeric SMILES

CS(=O)(=O)N1CCC(CC1)C2=C(C(C3=CNNC3=N2)C4=CC=CC(=C4Br)C#N)[N+]#[C-]

InChI

InChI=1S/C20H19BrN6O2S/c1-23-19-16(14-5-3-4-13(10-22)17(14)21)15-11-24-26-20(15)25-18(19)12-6-8-27(9-7-12)30(2,28)29/h3-5,11-12,16H,6-9H2,2H3,(H2,24,25,26)