tert-butyl 4-[4,4-bis(fluoranyl)-4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4,4-bis(fluoranyl)-4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4,4-difluoro-4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate CAS Name: 4-[4,4-difluoro-4-(4-methylsulfonylphenyl)butyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4,4-difluoro-4-(4-methylsulfonylphenyl)butyl]piperidine-1-carboxylate Traditional Name: 4-[4,4-difluoro-4-(4-mesylphenyl)butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H31F2NO4S MolecularWeight: 431.536946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H31F2NO4S/c1-20(2,3)28-19(25)24-14-11-16(12-15-24)6-5-13-21(22,23)17-7-9-18(10-8-17)29(4,26)27/h7-10,16H,5-6,11-15H2,1-4H3