2-(4-piperidin-1-ylsulfonylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone

Systemtic Name: 2-(4-piperidin-1-ylsulfonylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Openeye Name: 2-[4-(1-piperidylsulfonyl)phenyl]-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone CAS Name: 2-[4-(1-piperidinylsulfonyl)phenyl]-1-[4-(2-pyrimidinyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-piperidin-1-ylsulfonylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)ethanone Traditional Name: 2-(4-piperidinosulfonylphenyl)-1-[4-(2-pyrimidyl)piperazino]ethanone Formula: C21H27N5O3S MolecularWeight: 429.53578

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

Isomeric SMILES

C1CCN(CC1)S(=O)(=O)C2=CC=C(C=C2)CC(=O)N3CCN(CC3)C4=NC=CC=N4

InChI

InChI=1S/C21H27N5O3S/c27-20(24-13-15-25(16-14-24)21-22-9-4-10-23-21)17-18-5-7-19(8-6-18)30(28,29)26-11-2-1-3-12-26/h4-10H,1-3,11-17H2