(2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Openeye Name: (2-ethoxycarbonylbenzofuran-3-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate CAS Name: 1-ethylsulfonyl-4-piperidinecarboxylic acid (2-ethoxycarbonyl-3-benzofuranyl)methyl ester IUPAC Name: (2-ethoxycarbonyl-1-benzofuran-3-yl)methyl 1-ethylsulfonylpiperidine-4-carboxylate Traditional Name: 1-esylisonipecotic acid (2-carbethoxybenzofuran-3-yl)methyl ester Formula: C20H25NO7S MolecularWeight: 423.48

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C20H25NO7S/c1-3-26-20(23)18-16(15-7-5-6-8-17(15)28-18)13-27-19(22)14-9-11-21(12-10-14)29(24,25)4-2/h5-8,14H,3-4,9-13H2,1-2H3