1-[4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[4-[4-(5-bromanylpyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[4-[[4-(5-bromo-2-pyrimidinyl)-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[4-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[4-[4-(5-bromopyrimidin-2-yl)piperazino]sulfonylphenyl]ethanone Formula: C16H17BrN4O3S MolecularWeight: 425.30018

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17BrN4O3S/c1-12(22)13-2-4-15(5-3-13)25(23,24)21-8-6-20(7-9-21)16-18-10-14(17)11-19-16/h2-5,10-11H,6-9H2,1H3