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

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C23H27NO6S MolecularWeight: 445.52858

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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=CC(=C3)C(=O)C)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=C(C=CC(=C3)C(=O)C)OC

InChI

InChI=1S/C23H27NO6S/c1-16-4-7-21(8-5-16)31(27,28)24-12-10-18(11-13-24)23(26)30-15-20-14-19(17(2)25)6-9-22(20)29-3/h4-9,14,18H,10-13,15H2,1-3H3