(2-oxidanylidene-2-propan-2-yloxy-ethyl) 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (2-oxidanylidene-2-propan-2-yloxy-ethyl) 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-isopropoxy-2-oxo-ethyl) 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)-4-piperidinecarboxylic acid (2-oxo-2-propan-2-yloxyethyl) ester IUPAC Name: (2-oxo-2-propan-2-yloxyethyl) 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)isonipecotic acid (2-isopropoxy-2-keto-ethyl) ester Formula: C20H27NO8S MolecularWeight: 441.49528

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

Isomeric SMILES

CC(C)OC(=O)COC(=O)C1CCN(CC1)S(=O)(=O)C2=CC3=C(C=C2)OCCCO3

InChI

InChI=1S/C20H27NO8S/c1-14(2)29-19(22)13-28-20(23)15-6-8-21(9-7-15)30(24,25)16-4-5-17-18(12-16)27-11-3-10-26-17/h4-5,12,14-15H,3,6-11,13H2,1-2H3