(2,5-dimethylphenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2,5-dimethylphenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (2,5-dimethylphenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (2,5-dimethylphenyl)methyl ester IUPAC Name: (2,5-dimethylphenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (2,5-dimethylbenzyl) ester Formula: C16H23NO4S MolecularWeight: 325.42312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)COC(=O)C2CCN(CC2)S(=O)(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)COC(=O)C2CCN(CC2)S(=O)(=O)C

InChI

InChI=1S/C16H23NO4S/c1-12-4-5-13(2)15(10-12)11-21-16(18)14-6-8-17(9-7-14)22(3,19)20/h4-5,10,14H,6-9,11H2,1-3H3