phenacyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: phenacyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: phenacyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid phenacyl ester IUPAC Name: phenacyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid phenacyl ester Formula: C21H23NO5S MolecularWeight: 401.47602

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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