N-[1-(3,4-dimethoxyphenyl)-2-phenyl-ethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide

Systemtic Name: N-[1-(3,4-dimethoxyphenyl)-2-phenyl-ethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide Openeye Name: N-[1-(3,4-dimethoxyphenyl)-2-phenyl-ethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide CAS Name: N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide IUPAC Name: N-[1-(3,4-dimethoxyphenyl)-2-phenylethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide Traditional Name: N-[1-(3,4-dimethoxyphenyl)-2-phenyl-ethyl]-2H-pyrazolo[3,4-b]pyridine-3-sulfonamide Formula: C22H22N4O4S MolecularWeight: 438.49948

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(CC2=CC=CC=C2)NS(=O)(=O)C3=C4C=CC=NC4=NN3)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C(CC2=CC=CC=C2)NS(=O)(=O)C3=C4C=CC=NC4=NN3)OC

InChI

InChI=1S/C22H22N4O4S/c1-29-19-11-10-16(14-20(19)30-2)18(13-15-7-4-3-5-8-15)26-31(27,28)22-17-9-6-12-23-21(17)24-25-22/h3-12,14,18,26H,13H2,1-2H3,(H,23,24,25)