N-(3-methylsulfonylphenyl)-6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide

Systemtic Name: N-(3-methylsulfonylphenyl)-6-phenyl-1-(phenylmethyl)pyrazolo[3,4-b]pyridine-4-carboxamide Openeye Name: 1-benzyl-N-(3-methylsulfonylphenyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide CAS Name: N-(3-methylsulfonylphenyl)-6-phenyl-1-(phenylmethyl)-4-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1-benzyl-N-(3-methylsulfonylphenyl)-6-phenylpyrazolo[3,4-b]pyridine-4-carboxamide Traditional Name: 1-benzyl-N-(3-mesylphenyl)-6-phenyl-pyrazolo[3,4-b]pyridine-4-carboxamide Formula: C27H22N4O3S MolecularWeight: 482.55358

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

CS(=O)(=O)C1=CC=CC(=C1)NC(=O)C2=CC(=NC3=C2C=NN3CC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C27H22N4O3S/c1-35(33,34)22-14-8-13-21(15-22)29-27(32)23-16-25(20-11-6-3-7-12-20)30-26-24(23)17-28-31(26)18-19-9-4-2-5-10-19/h2-17H,18H2,1H3,(H,29,32)