(4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (4-tert-butyl-2,6-dimethyl-phenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (4-tert-butyl-2,6-dimethylphenyl)methyl ester IUPAC Name: (4-tert-butyl-2,6-dimethylphenyl)methyl 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (4-tert-butyl-2,6-dimethyl-benzyl) ester Formula: C20H31NO4S MolecularWeight: 381.52944

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1COC(=O)C2CCN(CC2)S(=O)(=O)C)C)C(C)(C)C

Isomeric SMILES

CC1=CC(=CC(=C1COC(=O)C2CCN(CC2)S(=O)(=O)C)C)C(C)(C)C

InChI

InChI=1S/C20H31NO4S/c1-14-11-17(20(3,4)5)12-15(2)18(14)13-25-19(22)16-7-9-21(10-8-16)26(6,23)24/h11-12,16H,7-10,13H2,1-6H3