(5-ethanoyl-2-methoxy-phenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate

Systemtic Name: (5-ethanoyl-2-methoxy-phenyl)methyl 1-(phenylsulfonyl)piperidine-4-carboxylate Openeye Name: (5-acetyl-2-methoxy-phenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate CAS Name: 1-(benzenesulfonyl)-4-piperidinecarboxylic acid (5-acetyl-2-methoxyphenyl)methyl ester IUPAC Name: (5-acetyl-2-methoxyphenyl)methyl 1-(benzenesulfonyl)piperidine-4-carboxylate Traditional Name: 1-besylisonipecotic 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)C2CCN(CC2)S(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

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

InChI

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