(4,5-dimethoxy-2-methyl-phenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 1-(4-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (4,5-dimethoxy-2-methyl-phenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid (4,5-dimethoxy-2-methylphenyl)methyl ester IUPAC Name: (4,5-dimethoxy-2-methylphenyl)methyl 1-(4-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylisonipecotic acid (4,5-dimethoxy-2-methyl-benzyl) ester Formula: C24H29NO7S MolecularWeight: 475.55456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)OC)OC

Isomeric SMILES

CC1=CC(=C(C=C1COC(=O)C2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C(=O)C)OC)OC

InChI

InChI=1S/C24H29NO7S/c1-16-13-22(30-3)23(31-4)14-20(16)15-32-24(27)19-9-11-25(12-10-19)33(28,29)21-7-5-18(6-8-21)17(2)26/h5-8,13-14,19H,9-12,15H2,1-4H3