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

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)piperidine-4-carboxylate Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)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 (2-ethoxycarbonyl-3-benzofuranyl)methyl ester IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-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 (2-carbethoxybenzofuran-3-yl)methyl ester Formula: C26H27NO9S MolecularWeight: 529.55888

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

Isomeric SMILES

CCOC(=O)C1=C(C2=CC=CC=C2O1)COC(=O)C3CCN(CC3)S(=O)(=O)C4=CC5=C(C=C4)OCCO5

InChI

InChI=1S/C26H27NO9S/c1-2-32-26(29)24-20(19-5-3-4-6-21(19)36-24)16-35-25(28)17-9-11-27(12-10-17)37(30,31)18-7-8-22-23(15-18)34-14-13-33-22/h3-8,15,17H,2,9-14,16H2,1H3