N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanamide

Systemtic Name: N-(4-bromanyl-2-fluoranyl-phenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanamide Openeye Name: N-(4-bromo-2-fluoro-phenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide CAS Name: N-(4-bromo-2-fluorophenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide IUPAC Name: N-(4-bromo-2-fluorophenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide Traditional Name: N-(4-bromo-2-fluoro-phenyl)-2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetamide Formula: C18H18BrFN2O5S MolecularWeight: 473.313323

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)NC1=C(C=C(C=C1)Br)F)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC(=O)NC1=C(C=C(C=C1)Br)F)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H18BrFN2O5S/c1-22(11-18(23)21-15-5-3-12(19)9-14(15)20)28(24,25)13-4-6-16-17(10-13)27-8-2-7-26-16/h3-6,9-10H,2,7-8,11H2,1H3,(H,21,23)