(6-methyl-1-propyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone

Systemtic Name: (6-methyl-1-propyl-pyrazolo[3,4-b]pyridin-4-yl)-[4-(phenylsulfonyl)piperazin-1-yl]methanone Openeye Name: [4-(benzenesulfonyl)piperazin-1-yl]-(6-methyl-1-propyl-pyrazolo[3,4-b]pyridin-4-yl)methanone CAS Name: [4-(benzenesulfonyl)-1-piperazinyl]-(6-methyl-1-propyl-4-pyrazolo[3,4-b]pyridinyl)methanone IUPAC Name: [4-(benzenesulfonyl)piperazin-1-yl]-(6-methyl-1-propylpyrazolo[3,4-b]pyridin-4-yl)methanone Traditional Name: (4-besylpiperazino)-(6-methyl-1-propyl-pyrazolo[3,4-b]pyridin-4-yl)methanone Formula: C21H25N5O3S MolecularWeight: 427.5199

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C2=C(C=N1)C(=CC(=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

CCCN1C2=C(C=N1)C(=CC(=N2)C)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H25N5O3S/c1-3-9-26-20-19(15-22-26)18(14-16(2)23-20)21(27)24-10-12-25(13-11-24)30(28,29)17-7-5-4-6-8-17/h4-8,14-15H,3,9-13H2,1-2H3