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

Systemtic Name: (4-propanoylphenyl) 2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoate Openeye Name: (4-propanoylphenyl) 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-(1-oxopropyl)phenyl] ester IUPAC Name: (4-propanoylphenyl) 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-propionylphenyl) ester Formula: C21H23NO7S MolecularWeight: 433.47482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO7S/c1-3-18(23)15-5-7-16(8-6-15)29-21(24)14-22(2)30(25,26)17-9-10-19-20(13-17)28-12-4-11-27-19/h5-10,13H,3-4,11-12,14H2,1-2H3