(2,6-dimethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (2,6-dimethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (2,6-dimethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (2,6-dimethylphenyl) ester IUPAC Name: (2,6-dimethylphenyl) 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (2,6-dimethylphenyl) ester Formula: C15H21NO4S MolecularWeight: 311.39654

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21NO4S/c1-11-5-4-6-12(2)14(11)20-15(17)13-7-9-16(10-8-13)21(3,18)19/h4-6,13H,7-10H2,1-3H3