2-(2-bromanyl-4-fluoranyl-phenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-1-[4-(3-pyridylsulfonyl)piperazin-1-yl]ethanone CAS Name: 2-(2-bromo-4-fluorophenoxy)-1-[4-(3-pyridinylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-1-(4-pyridin-3-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-1-[4-(3-pyridylsulfonyl)piperazino]ethanone Formula: C17H17BrFN3O4S MolecularWeight: 458.301983

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)F)Br)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

C1CN(CCN1C(=O)COC2=C(C=C(C=C2)F)Br)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C17H17BrFN3O4S/c18-15-10-13(19)3-4-16(15)26-12-17(23)21-6-8-22(9-7-21)27(24,25)14-2-1-5-20-11-14/h1-5,10-11H,6-9,12H2