tert-butyl 4-[[4-(5-methylsulfonylpyridin-2-yl)phenoxy]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(5-methylsulfonylpyridin-2-yl)phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(5-methylsulfonyl-2-pyridyl)phenoxy]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(5-methylsulfonylpyridin-2-yl)phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(5-mesyl-2-pyridyl)phenoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H30N2O5S MolecularWeight: 446.5597

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC=C(C=C2)C3=NC=C(C=C3)S(=O)(=O)C

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)COC2=CC=C(C=C2)C3=NC=C(C=C3)S(=O)(=O)C

InChI

InChI=1S/C23H30N2O5S/c1-23(2,3)30-22(26)25-13-11-17(12-14-25)16-29-19-7-5-18(6-8-19)21-10-9-20(15-24-21)31(4,27)28/h5-10,15,17H,11-14,16H2,1-4H3