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

Systemtic Name: methyl 4-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]ethanoyloxy]benzoate Openeye Name: methyl 4-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]oxybenzoate CAS Name: 4-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]-1-oxoethoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]oxybenzoate Traditional Name: 4-[2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(methyl)amino]acetyl]oxybenzoic acid methyl ester Formula: C20H21NO8S MolecularWeight: 435.44764

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21NO8S/c1-21(13-19(22)29-15-6-4-14(5-7-15)20(23)26-2)30(24,25)16-8-9-17-18(12-16)28-11-3-10-27-17/h4-9,12H,3,10-11,13H2,1-2H3