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

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 1-methylsulfonylpiperidine-4-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 1-methylsulfonylpiperidine-4-carboxylate CAS Name: 1-methylsulfonyl-4-piperidinecarboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 1-methylsulfonylpiperidine-4-carboxylate Traditional Name: 1-mesylisonipecotic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C18H27NO4S MolecularWeight: 353.47628

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H27NO4S/c1-13-12-15(18(2,3)4)6-7-16(13)23-17(20)14-8-10-19(11-9-14)24(5,21)22/h6-7,12,14H,8-11H2,1-5H3