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

Systemtic Name: (4-bromanyl-2-chloranyl-phenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoate Openeye Name: (4-bromo-2-chloro-phenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetate CAS Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetic acid (4-bromo-2-chlorophenyl) ester IUPAC Name: (4-bromo-2-chlorophenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetate Traditional Name: 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetic acid (4-bromo-2-chloro-phenyl) ester Formula: C18H17BrClNO6S MolecularWeight: 490.75268

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC(=O)OC1=C(C=C(C=C1)Br)Cl)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CN(CC(=O)OC1=C(C=C(C=C1)Br)Cl)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C18H17BrClNO6S/c1-21(11-18(22)27-15-5-3-12(19)9-14(15)20)28(23,24)13-4-6-16-17(10-13)26-8-2-7-25-16/h3-6,9-10H,2,7-8,11H2,1H3