pyridin-2-ylmethyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate

Systemtic Name: pyridin-2-ylmethyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Openeye Name: 2-pyridylmethyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate CAS Name: 1-(4-tert-butylphenyl)sulfonyl-4-piperidinecarboxylic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 1-(4-tert-butylphenyl)sulfonylpiperidine-4-carboxylate Traditional Name: 1-(4-tert-butylphenyl)sulfonylisonipecotic acid 2-pyridylmethyl ester Formula: C22H28N2O4S MolecularWeight: 416.53372

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC=N3

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)N2CCC(CC2)C(=O)OCC3=CC=CC=N3

InChI

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