(5-methyl-2-oxidanylidene-oxolan-3-yl) 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (5-methyl-2-oxidanylidene-oxolan-3-yl) 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (5-methyl-2-oxo-tetrahydrofuran-3-yl) 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 (5-methyl-2-oxo-3-oxolanyl) ester IUPAC Name: (5-methyl-2-oxooxolan-3-yl) 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-keto-5-methyl-tetrahydrofuran-3-yl) ester Formula: C20H25NO8S MolecularWeight: 439.4794

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC(C(=O)O1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

CC1CC(C(=O)O1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H25NO8S/c1-13-11-18(20(23)28-13)29-19(22)14-5-7-21(8-6-14)30(24,25)15-3-4-16-17(12-15)27-10-2-9-26-16/h3-4,12-14,18H,2,5-11H2,1H3