N,N-diethyl-4-[1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]carbonyl-piperazine-1-sulfonamide

Systemtic Name: N,N-diethyl-4-[1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]carbonyl-piperazine-1-sulfonamide Openeye Name: 4-(1-benzylpyrazolo[3,4-b]pyridine-5-carbonyl)-N,N-diethyl-piperazine-1-sulfonamide CAS Name: N,N-diethyl-4-[oxo-[1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinyl]methyl]-1-piperazinesulfonamide IUPAC Name: 4-(1-benzylpyrazolo[3,4-b]pyridine-5-carbonyl)-N,N-diethylpiperazine-1-sulfonamide Traditional Name: 4-(1-benzylpyrazolo[3,4-b]pyridine-5-carbonyl)-N,N-diethyl-piperazine-1-sulfonamide Formula: C22H28N6O3S MolecularWeight: 456.56112

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4

Isomeric SMILES

CCN(CC)S(=O)(=O)N1CCN(CC1)C(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4

InChI

InChI=1S/C22H28N6O3S/c1-3-26(4-2)32(30,31)27-12-10-25(11-13-27)22(29)20-14-19-16-24-28(21(19)23-15-20)17-18-8-6-5-7-9-18/h5-9,14-16H,3-4,10-13,17H2,1-2H3