1-[3-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone

Systemtic Name: 1-[3-[4-(5-bromanylpyridin-3-yl)carbonylpiperazin-1-yl]sulfonylphenyl]ethanone Openeye Name: 1-[3-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone CAS Name: 1-[3-[[4-[(5-bromo-3-pyridinyl)-oxomethyl]-1-piperazinyl]sulfonyl]phenyl]ethanone IUPAC Name: 1-[3-[4-(5-bromopyridine-3-carbonyl)piperazin-1-yl]sulfonylphenyl]ethanone Traditional Name: 1-[3-[4-(5-bromonicotinoyl)piperazino]sulfonylphenyl]ethanone Formula: C18H18BrN3O4S MolecularWeight: 452.32222

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18BrN3O4S/c1-13(23)14-3-2-4-17(10-14)27(25,26)22-7-5-21(6-8-22)18(24)15-9-16(19)12-20-11-15/h2-4,9-12H,5-8H2,1H3