N-[4-[4-azanyl-1-(4-oxidanylidenecyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]benzenesulfonamide

Systemtic Name: N-[4-[4-azanyl-1-(4-oxidanylidenecyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]benzenesulfonamide Openeye Name: N-[4-[4-amino-1-(4-oxocyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]benzenesulfonamide CAS Name: N-[4-[4-amino-1-(4-oxocyclohexyl)-3-pyrazolo[3,4-d]pyrimidinyl]-2-methoxyphenyl]benzenesulfonamide IUPAC Name: N-[4-[4-amino-1-(4-oxocyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxyphenyl]benzenesulfonamide Traditional Name: N-[4-[4-amino-1-(4-ketocyclohexyl)pyrazolo[3,4-d]pyrimidin-3-yl]-2-methoxy-phenyl]benzenesulfonamide Formula: C24H24N6O4S MolecularWeight: 492.55016

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCC(=O)CC4)NS(=O)(=O)C5=CC=CC=C5

Isomeric SMILES

COC1=C(C=CC(=C1)C2=NN(C3=C2C(=NC=N3)N)C4CCC(=O)CC4)NS(=O)(=O)C5=CC=CC=C5

InChI

InChI=1S/C24H24N6O4S/c1-34-20-13-15(7-12-19(20)29-35(32,33)18-5-3-2-4-6-18)22-21-23(25)26-14-27-24(21)30(28-22)16-8-10-17(31)11-9-16/h2-7,12-14,16,29H,8-11H2,1H3,(H2,25,26,27)