(5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate

Systemtic Name: (5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Openeye Name: (5-methoxycarbonyl-4-methyl-2-furyl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate CAS Name: 1-(4-methoxyphenyl)sulfonyl-3-piperidinecarboxylic acid (5-methoxycarbonyl-4-methyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxylate Traditional Name: 1-(4-methoxyphenyl)sulfonylnipecotic acid (5-carbomethoxy-4-methyl-2-furyl)methyl ester Formula: C21H25NO8S MolecularWeight: 451.4901

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)COC(=O)C2CCCN(C2)S(=O)(=O)C3=CC=C(C=C3)OC)C(=O)OC

InChI

InChI=1S/C21H25NO8S/c1-14-11-17(30-19(14)21(24)28-3)13-29-20(23)15-5-4-10-22(12-15)31(25,26)18-8-6-16(27-2)7-9-18/h6-9,11,15H,4-5,10,12-13H2,1-3H3