(4-tert-butyl-2-methyl-phenyl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate

Systemtic Name: (4-tert-butyl-2-methyl-phenyl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate Openeye Name: (4-tert-butyl-2-methyl-phenyl) 1-(3,5-dimethylisoxazol-4-yl)sulfonylpiperidine-4-carboxylate CAS Name: 1-[(3,5-dimethyl-4-isoxazolyl)sulfonyl]-4-piperidinecarboxylic acid (4-tert-butyl-2-methylphenyl) ester IUPAC Name: (4-tert-butyl-2-methylphenyl) 1-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonyl]piperidine-4-carboxylate Traditional Name: 1-(3,5-dimethylisoxazol-4-yl)sulfonylisonipecotic acid (4-tert-butyl-2-methyl-phenyl) ester Formula: C22H30N2O5S MolecularWeight: 434.549

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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)C3=C(ON=C3C)C

Isomeric SMILES

CC1=C(C=CC(=C1)C(C)(C)C)OC(=O)C2CCN(CC2)S(=O)(=O)C3=C(ON=C3C)C

InChI

InChI=1S/C22H30N2O5S/c1-14-13-18(22(4,5)6)7-8-19(14)28-21(25)17-9-11-24(12-10-17)30(26,27)20-15(2)23-29-16(20)3/h7-8,13,17H,9-12H2,1-6H3