(5-ethanoyl-2-ethoxy-phenyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-ethanoyl-2-ethoxy-phenyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-acetyl-2-ethoxy-phenyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3,4-dimethylphenyl)sulfonyl-4-piperidinecarboxylic acid (5-acetyl-2-ethoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-ethoxyphenyl)methyl 1-(3,4-dimethylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3,4-dimethylphenyl)sulfonylisonipecotic acid (5-acetyl-2-ethoxy-benzyl) ester Formula: C25H31NO6S MolecularWeight: 473.58174

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)C)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)C)C

InChI

InChI=1S/C25H31NO6S/c1-5-31-24-9-7-21(19(4)27)15-22(24)16-32-25(28)20-10-12-26(13-11-20)33(29,30)23-8-6-17(2)18(3)14-23/h6-9,14-15,20H,5,10-13,16H2,1-4H3