(3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-ethoxyphenyl)sulfonyl-4-piperidinecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 1-(4-ethoxyphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-p-phenetylsulfonylisonipecotic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C26H33NO6S MolecularWeight: 487.60832

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=C(C(=C3C)C(=O)C)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=C(C(=C3C)C(=O)C)C)C

InChI

InChI=1S/C26H33NO6S/c1-6-32-22-7-9-23(10-8-22)34(30,31)27-13-11-21(12-14-27)26(29)33-16-24-17(2)15-18(3)25(19(24)4)20(5)28/h7-10,15,21H,6,11-14,16H2,1-5H3