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

Systemtic Name: (5-methoxycarbonyl-4-methyl-furan-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-methoxycarbonyl-4-methyl-2-furyl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-chlorophenyl)sulfonyl-4-piperidinecarboxylic acid (5-methoxycarbonyl-4-methyl-2-furanyl)methyl ester IUPAC Name: (5-methoxycarbonyl-4-methylfuran-2-yl)methyl 1-(4-chlorophenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-chlorophenyl)sulfonylisonipecotic acid (5-carbomethoxy-4-methyl-2-furyl)methyl ester Formula: C20H22ClNO7S MolecularWeight: 455.90918

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC(=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)OC

Isomeric SMILES

CC1=C(OC(=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)Cl)C(=O)OC

InChI

InChI=1S/C20H22ClNO7S/c1-13-11-16(29-18(13)20(24)27-2)12-28-19(23)14-7-9-22(10-8-14)30(25,26)17-5-3-15(21)4-6-17/h3-6,11,14H,7-10,12H2,1-2H3