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

Systemtic Name: (4-ethanoylphenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoate Openeye Name: (4-acetylphenyl) 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-acetylphenyl) ester IUPAC Name: (4-acetylphenyl) 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-acetylphenyl) ester Formula: C20H21NO7S MolecularWeight: 419.44824

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)OC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)OC(=O)CN(C)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H21NO7S/c1-14(22)15-4-6-16(7-5-15)28-20(23)13-21(2)29(24,25)17-8-9-18-19(12-17)27-11-3-10-26-18/h4-9,12H,3,10-11,13H2,1-2H3