(4-tert-butylphenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate

Systemtic Name: (4-tert-butylphenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Openeye Name: (4-tert-butylphenyl)methyl 1-(3-pyridylsulfonyl)piperidine-4-carboxylate CAS Name: 1-(3-pyridinylsulfonyl)-4-piperidinecarboxylic acid (4-tert-butylphenyl)methyl ester IUPAC Name: (4-tert-butylphenyl)methyl 1-pyridin-3-ylsulfonylpiperidine-4-carboxylate Traditional Name: 1-(3-pyridylsulfonyl)isonipecotic acid (4-tert-butylbenzyl) ester Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)COC(=O)C2CCN(CC2)S(=O)(=O)C3=CN=CC=C3

InChI

InChI=1S/C22H28N2O4S/c1-22(2,3)19-8-6-17(7-9-19)16-28-21(25)18-10-13-24(14-11-18)29(26,27)20-5-4-12-23-15-20/h4-9,12,15,18H,10-11,13-14,16H2,1-3H3