(3-ethoxycarbonylfuran-2-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-ethoxycarbonylfuran-2-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-ethoxycarbonyl-2-furyl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (3-ethoxycarbonyl-2-furanyl)methyl ester IUPAC Name: (3-ethoxycarbonylfuran-2-yl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (3-carbethoxy-2-furyl)methyl ester Formula: C21H25NO7S MolecularWeight: 435.4907

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(OC=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(OC=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C21H25NO7S/c1-3-27-21(24)18-10-13-28-19(18)14-29-20(23)16-8-11-22(12-9-16)30(25,26)17-6-4-15(2)5-7-17/h4-7,10,13,16H,3,8-9,11-12,14H2,1-2H3