tert-butyl 4-[6-[(4-methylsulfonylphenyl)methoxy]pyrimidin-4-yl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[6-[(4-methylsulfonylphenyl)methoxy]pyrimidin-4-yl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[6-[(4-methylsulfonylphenyl)methoxy]pyrimidin-4-yl]piperidine-1-carboxylate CAS Name: 4-[6-[(4-methylsulfonylphenyl)methoxy]-4-pyrimidinyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[6-[(4-methylsulfonylphenyl)methoxy]pyrimidin-4-yl]piperidine-1-carboxylate Traditional Name: 4-[6-(4-mesylbenzyl)oxypyrimidin-4-yl]piperidine-1-carboxylic acid tert-butyl ester Formula: C22H29N3O5S MolecularWeight: 447.54776

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=NC=N2)OCC3=CC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC(=NC=N2)OCC3=CC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C22H29N3O5S/c1-22(2,3)30-21(26)25-11-9-17(10-12-25)19-13-20(24-15-23-19)29-14-16-5-7-18(8-6-16)31(4,27)28/h5-8,13,15,17H,9-12,14H2,1-4H3