[(1S)-2-oxidanylidenecyclopentyl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [(1S)-2-oxidanylidenecyclopentyl] 1-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [(1S)-2-oxocyclopentyl] 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 [(1S)-2-oxocyclopentyl] ester IUPAC Name: [(1S)-2-oxocyclopentyl] 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 [(1S)-2-ketocyclopentyl] ester Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C(=O)C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

Isomeric SMILES

C1C[C@@H](C(=O)C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCCO4

InChI

InChI=1S/C20H25NO7S/c22-16-3-1-4-17(16)28-20(23)14-7-9-21(10-8-14)29(24,25)15-5-6-18-19(13-15)27-12-2-11-26-18/h5-6,13-14,17H,1-4,7-12H2/t17-/m0/s1