(5-ethanoyl-2-methoxy-phenyl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C26H33NO6S MolecularWeight: 487.60832

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C26H33NO6S/c1-18(28)20-6-11-24(32-5)21(16-20)17-33-25(29)19-12-14-27(15-13-19)34(30,31)23-9-7-22(8-10-23)26(2,3)4/h6-11,16,19H,12-15,17H2,1-5H3