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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)COC3=C(C=C(C=C3)S(=O)(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C2=CC=C(C=C2)COC3=C(C=C(C=C3)S(=O)(=O)C)F

InChI

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