tert-butyl 4-[[4-(2-fluoranyl-4-methylsulfonyl-phenyl)phenoxy]methyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[[4-(2-fluoranyl-4-methylsulfonyl-phenyl)phenoxy]methyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[[4-(2-fluoro-4-methylsulfonyl-phenyl)phenoxy]methyl]piperidine-1-carboxylate CAS Name: 4-[[4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]methyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[[4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]methyl]piperidine-1-carboxylate Traditional Name: 4-[[4-(2-fluoro-4-mesyl-phenyl)phenoxy]methyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C24H30FNO5S MolecularWeight: 463.562103

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H30FNO5S/c1-24(2,3)31-23(27)26-13-11-17(12-14-26)16-30-19-7-5-18(6-8-19)21-10-9-20(15-22(21)25)32(4,28)29/h5-10,15,17H,11-14,16H2,1-4H3