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

Systemtic Name: propan-2-yl 4-[[4-(5-methylsulfonylpyridin-2-yl)phenoxy]methyl]piperidine-1-carboxylate Openeye Name: isopropyl 4-[[4-(5-methylsulfonyl-2-pyridyl)phenoxy]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-(5-methylsulfonyl-2-pyridinyl)phenoxy]methyl]-1-piperidinecarboxylic acid propan-2-yl ester IUPAC Name: propan-2-yl 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 isopropyl ester Formula: C22H28N2O5S MolecularWeight: 432.53312

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H28N2O5S/c1-16(2)29-22(25)24-12-10-17(11-13-24)15-28-19-6-4-18(5-7-19)21-9-8-20(14-23-21)30(3,26)27/h4-9,14,16-17H,10-13,15H2,1-3H3