(5-bromanylpyridin-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (5-bromo-3-pyridyl)-[4-(p-tolylsulfonyl)piperazin-1-yl]methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (5-bromopyridin-3-yl)-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methanone Traditional Name: (5-bromo-3-pyridyl)-(4-tosylpiperazino)methanone Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CN=C3)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)C3=CC(=CN=C3)Br

InChI

InChI=1S/C17H18BrN3O3S/c1-13-2-4-16(5-3-13)25(23,24)21-8-6-20(7-9-21)17(22)14-10-15(18)12-19-11-14/h2-5,10-12H,6-9H2,1H3