(phenylmethyl) 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: (phenylmethyl) 1-(3-ethanoylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: benzyl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(3-acetylphenyl)sulfonyl-4-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(3-acetylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-acetylphenyl)sulfonylisonipecotic acid benzyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23NO5S/c1-16(23)19-8-5-9-20(14-19)28(25,26)22-12-10-18(11-13-22)21(24)27-15-17-6-3-2-4-7-17/h2-9,14,18H,10-13,15H2,1H3