(phenylmethyl) 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate

Systemtic Name: (phenylmethyl) 1-(4-ethanoylphenyl)sulfonylpiperidine-2-carboxylate Openeye Name: benzyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate CAS Name: 1-(4-acetylphenyl)sulfonyl-2-piperidinecarboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 1-(4-acetylphenyl)sulfonylpiperidine-2-carboxylate Traditional Name: 1-(4-acetylphenyl)sulfonylpipecolinic acid benzyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)S(=O)(=O)N2CCCCC2C(=O)OCC3=CC=CC=C3

InChI

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