(5-methoxycarbonylfuran-2-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (5-methoxycarbonylfuran-2-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (5-methoxycarbonyl-2-furyl)methyl 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 (5-methoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonylfuran-2-yl)methyl 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 (5-carbomethoxy-2-furyl)methyl ester Formula: C21H23NO9S MolecularWeight: 465.47362

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(O1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

Isomeric SMILES

COC(=O)C1=CC=C(O1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC4=C(C=C3)OCCO4

InChI

InChI=1S/C21H23NO9S/c1-27-21(24)18-4-2-15(31-18)13-30-20(23)14-6-8-22(9-7-14)32(25,26)16-3-5-17-19(12-16)29-11-10-28-17/h2-5,12,14H,6-11,13H2,1H3