tert-butyl 4-[[2-(methoxymethyl)-4-(6-methylsulfonylpyridin-3-yl)phenoxy]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[2-(methoxymethyl)-4-(6-methylsulfonylpyridin-3-yl)phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[2-(methoxymethyl)-4-(6-methylsulfonyl-3-pyridyl)phenoxy]methyl]piperidine-1-carboxylate CAS Name: 4-[[2-(methoxymethyl)-4-(6-methylsulfonyl-3-pyridinyl)phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[2-(methoxymethyl)-4-(6-methylsulfonylpyridin-3-yl)phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(6-mesyl-3-pyridyl)-2-(methoxymethyl)phenoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C25H34N2O6S MolecularWeight: 490.61226

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H34N2O6S/c1-25(2,3)33-24(28)27-12-10-18(11-13-27)16-32-22-8-6-19(14-21(22)17-31-4)20-7-9-23(26-15-20)34(5,29)30/h6-9,14-15,18H,10-13,16-17H2,1-5H3