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

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone Openeye Name: 2-(4-bromo-2-fluoro-phenoxy)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone CAS Name: 2-(4-bromo-2-fluorophenoxy)-1-[4-(1-pyrrolidinylsulfonyl)-1-piperazinyl]ethanone IUPAC Name: 2-(4-bromo-2-fluorophenoxy)-1-(4-pyrrolidin-1-ylsulfonylpiperazin-1-yl)ethanone Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-1-(4-pyrrolidinosulfonylpiperazino)ethanone Formula: C16H21BrFN3O4S MolecularWeight: 450.323043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)F

Isomeric SMILES

C1CCN(C1)S(=O)(=O)N2CCN(CC2)C(=O)COC3=C(C=C(C=C3)Br)F

InChI

InChI=1S/C16H21BrFN3O4S/c17-13-3-4-15(14(18)11-13)25-12-16(22)19-7-9-21(10-8-19)26(23,24)20-5-1-2-6-20/h3-4,11H,1-2,5-10,12H2