[1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone

Systemtic Name: [1-(phenylmethyl)pyrazolo[3,4-b]pyridin-5-yl]-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Openeye Name: (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(2-thienylsulfonyl)piperazin-1-yl]methanone CAS Name: [1-(phenylmethyl)-5-pyrazolo[3,4-b]pyridinyl]-(4-thiophen-2-ylsulfonyl-1-piperazinyl)methanone IUPAC Name: (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-(4-thiophen-2-ylsulfonylpiperazin-1-yl)methanone Traditional Name: (1-benzylpyrazolo[3,4-b]pyridin-5-yl)-[4-(2-thienylsulfonyl)piperazino]methanone Formula: C22H21N5O3S2 MolecularWeight: 467.56384

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

Isomeric SMILES

C1CN(CCN1C(=O)C2=CN=C3C(=C2)C=NN3CC4=CC=CC=C4)S(=O)(=O)C5=CC=CS5

InChI

InChI=1S/C22H21N5O3S2/c28-22(25-8-10-26(11-9-25)32(29,30)20-7-4-12-31-20)19-13-18-15-24-27(21(18)23-14-19)16-17-5-2-1-3-6-17/h1-7,12-15H,8-11,16H2