1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]ethanone

Systemtic Name: 1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]ethanone Openeye Name: 1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-(2-pyrimidinyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-(4-pyrimidin-2-ylpiperazin-1-yl)sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(2-pyrimidyl)piperazino]sulfonylphenyl]ethanone Formula: C16H18N4O3S MolecularWeight: 346.40412

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)S(=O)(=O)N2CCN(CC2)C3=NC=CC=N3

InChI

InChI=1S/C16H18N4O3S/c1-13(21)14-4-2-5-15(12-14)24(22,23)20-10-8-19(9-11-20)16-17-6-3-7-18-16/h2-7,12H,8-11H2,1H3