2-(4-pyrazol-1-ylphenyl)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-pyrazol-1-ylphenyl)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-pyrazol-1-ylphenyl)-1-[4-(3-pyridylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-[4-(1-pyrazolyl)phenyl]-1-[4-(3-pyridinylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-pyrazol-1-ylphenyl)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(4-pyrazol-1-ylphenyl)-1-[4-(3-pyridylsulfonyl)piperazino]ethanone Formula: C20H21N5O3S MolecularWeight: 411.47744

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4

Isomeric SMILES

C1CN(CCN1C(=O)CC2=CC=C(C=C2)N3C=CC=N3)S(=O)(=O)C4=CN=CC=C4

InChI

InChI=1S/C20H21N5O3S/c26-20(15-17-4-6-18(7-5-17)25-10-2-9-22-25)23-11-13-24(14-12-23)29(27,28)19-3-1-8-21-16-19/h1-10,16H,11-15H2