(5-ethanoyl-2-methoxy-phenyl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 1-(phenylsulfonyl)piperidine-2-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate CAS Name: 1-(benzenesulfonyl)-2-piperidinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 1-(benzenesulfonyl)piperidine-2-carboxylate Traditional Name: 1-besylpipecolinic acid (5-acetyl-2-methoxy-benzyl) ester Formula: C22H25NO6S MolecularWeight: 431.502

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)COC(=O)C2CCCCN2S(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C22H25NO6S/c1-16(24)17-11-12-21(28-2)18(14-17)15-29-22(25)20-10-6-7-13-23(20)30(26,27)19-8-4-3-5-9-19/h3-5,8-9,11-12,14,20H,6-7,10,13,15H2,1-2H3