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

Systemtic Name: tert-butyl 4-[4-(2-fluoranyl-4-methylsulfonyl-phenyl)phenoxy]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-(2-fluoro-4-methylsulfonyl-phenyl)phenoxy]piperidine-1-carboxylate CAS Name: 4-[4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-(2-fluoro-4-methylsulfonylphenyl)phenoxy]piperidine-1-carboxylate Traditional Name: 4-[4-(2-fluoro-4-mesyl-phenyl)phenoxy]piperidine-1-carboxylic acid tert-butyl ester Formula: C23H28FNO5S MolecularWeight: 449.535523

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)OC2=CC=C(C=C2)C3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

InChI=1S/C23H28FNO5S/c1-23(2,3)30-22(26)25-13-11-18(12-14-25)29-17-7-5-16(6-8-17)20-10-9-19(15-21(20)24)31(4,27)28/h5-10,15,18H,11-14H2,1-4H3