2-(4-bromanyl-2-fluoranyl-phenoxy)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone

Systemtic Name: 2-(4-bromanyl-2-fluoranyl-phenoxy)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone Openeye Name: 2-(4-bromo-2-fluoro-phenoxy)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone CAS Name: 2-(4-bromo-2-fluorophenoxy)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone IUPAC Name: 2-(4-bromo-2-fluorophenoxy)-1-(4-methylsulfonyl-1,4-diazepan-1-yl)ethanone Traditional Name: 2-(4-bromo-2-fluoro-phenoxy)-1-(4-mesyl-1,4-diazepan-1-yl)ethanone Formula: C14H18BrFN2O4S MolecularWeight: 409.271123

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)N1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)F

Isomeric SMILES

CS(=O)(=O)N1CCCN(CC1)C(=O)COC2=C(C=C(C=C2)Br)F

InChI

InChI=1S/C14H18BrFN2O4S/c1-23(20,21)18-6-2-5-17(7-8-18)14(19)10-22-13-4-3-11(15)9-12(13)16/h3-4,9H,2,5-8,10H2,1H3