2-oxidanylidenepropyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: 2-oxidanylidenepropyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: acetonyl 1-(p-tolylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(4-methylphenyl)sulfonyl-4-piperidinecarboxylic acid 2-oxopropyl ester IUPAC Name: 2-oxopropyl 1-(4-methylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-tosylisonipecotic acid acetonyl ester Formula: C16H21NO5S MolecularWeight: 339.40664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H21NO5S/c1-12-3-5-15(6-4-12)23(20,21)17-9-7-14(8-10-17)16(19)22-11-13(2)18/h3-6,14H,7-11H2,1-2H3