1-[4-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone

Systemtic Name: 1-[4-[4-bromanyl-2-(trifluoromethyloxy)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone Openeye Name: 1-[4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone CAS Name: 1-[4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone IUPAC Name: 1-[4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone Traditional Name: 1-[4-[4-bromo-2-(trifluoromethoxy)phenyl]sulfonyl-1,4-diazepan-1-yl]ethanone Formula: C14H16BrF3N2O4S MolecularWeight: 445.25205

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

Isomeric SMILES

CC(=O)N1CCCN(CC1)S(=O)(=O)C2=C(C=C(C=C2)Br)OC(F)(F)F

InChI

InChI=1S/C14H16BrF3N2O4S/c1-10(21)19-5-2-6-20(8-7-19)25(22,23)13-4-3-11(15)9-12(13)24-14(16,17)18/h3-4,9H,2,5-8H2,1H3