[(1R)-2-oxidanylidenecyclohexyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: [(1R)-2-oxidanylidenecyclohexyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: [(1R)-2-oxocyclohexyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)-4-piperidinecarboxylic acid [(1R)-2-oxocyclohexyl] ester IUPAC Name: [(1R)-2-oxocyclohexyl] 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Traditional Name: 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)isonipecotic acid [(1R)-2-ketocyclohexyl] ester Formula: C20H25NO7S MolecularWeight: 423.48

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(=O)C(C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

C1CCC(=O)[C@@H](C1)OC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C20H25NO7S/c22-16-3-1-2-4-17(16)28-20(23)14-7-9-21(10-8-14)29(24,25)15-5-6-18-19(13-15)27-12-11-26-18/h5-6,13-14,17H,1-4,7-12H2/t17-/m1/s1