methyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethyl]benzoate

Systemtic Name: methyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethyl]benzoate Openeye Name: methyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethyl]benzoate CAS Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethyl]benzoic acid methyl ester IUPAC Name: methyl 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethyl]benzoate Traditional Name: 4-[2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)ethyl]benzoic acid methyl ester Formula: C19H21NO6S MolecularWeight: 391.43814

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CCNS(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C19H21NO6S/c1-24-19(21)15-5-3-14(4-6-15)9-10-20-27(22,23)16-7-8-17-18(13-16)26-12-2-11-25-17/h3-8,13,20H,2,9-12H2,1H3