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

Systemtic Name: (3-ethanoyl-2,4,6-trimethyl-phenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (3-acetyl-2,4,6-trimethyl-phenyl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (3-acetyl-2,4,6-trimethylphenyl)methyl ester IUPAC Name: (3-acetyl-2,4,6-trimethylphenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (3-acetyl-2,4,6-trimethyl-benzyl) ester Formula: C25H31NO5S MolecularWeight: 457.58234

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=C(C(=C3C)C(=O)C)C)C

Isomeric SMILES

CC1=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/C25H31NO5S/c1-16-6-8-22(9-7-16)32(29,30)26-12-10-21(11-13-26)25(28)31-15-23-17(2)14-18(3)24(19(23)4)20(5)27/h6-9,14,21H,10-13,15H2,1-5H3