2-(2-bromanyl-4-fluoranyl-phenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 2-(2-bromanyl-4-fluoranyl-phenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 2-(2-bromo-4-fluoro-phenoxy)-1-[4-(p-tolylsulfonyl)-1,4-diazepan-1-yl]ethanone CAS Name: 2-(2-bromo-4-fluorophenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 2-(2-bromo-4-fluorophenoxy)-1-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 2-(2-bromo-4-fluoro-phenoxy)-1-(4-tosyl-1,4-diazepan-1-yl)ethanone Formula: C20H22BrFN2O4S MolecularWeight: 485.367083

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COC3=C(C=C(C=C3)F)Br

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCCN(CC2)C(=O)COC3=C(C=C(C=C3)F)Br

InChI

InChI=1S/C20H22BrFN2O4S/c1-15-3-6-17(7-4-15)29(26,27)24-10-2-9-23(11-12-24)20(25)14-28-19-8-5-16(22)13-18(19)21/h3-8,13H,2,9-12,14H2,1H3