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

Systemtic Name: (5-bromanylpyridin-3-yl)-[4-(phenylmethyl)sulfonylpiperazin-1-yl]methanone Openeye Name: (4-benzylsulfonylpiperazin-1-yl)-(5-bromo-3-pyridyl)methanone CAS Name: (5-bromo-3-pyridinyl)-[4-(phenylmethyl)sulfonyl-1-piperazinyl]methanone IUPAC Name: (4-benzylsulfonylpiperazin-1-yl)-(5-bromopyridin-3-yl)methanone Traditional Name: (4-benzylsulfonylpiperazino)-(5-bromo-3-pyridyl)methanone Formula: C17H18BrN3O3S MolecularWeight: 424.31212

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)C2=CC(=CN=C2)Br)S(=O)(=O)CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)C2=CC(=CN=C2)Br)S(=O)(=O)CC3=CC=CC=C3

InChI

InChI=1S/C17H18BrN3O3S/c18-16-10-15(11-19-12-16)17(22)20-6-8-21(9-7-20)25(23,24)13-14-4-2-1-3-5-14/h1-5,10-12H,6-9,13H2