tert-butyl 4-[4-[4-(fluoranylmethylsulfinyl)phenyl]-4-oxidanylidene-butyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[4-[4-(fluoranylmethylsulfinyl)phenyl]-4-oxidanylidene-butyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[4-[4-(fluoromethylsulfinyl)phenyl]-4-oxo-butyl]piperidine-1-carboxylate CAS Name: 4-[4-[4-(fluoromethylsulfinyl)phenyl]-4-oxobutyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[4-[4-(fluoromethylsulfinyl)phenyl]-4-oxobutyl]piperidine-1-carboxylate Traditional Name: 4-[4-[4-(fluoromethylsulfinyl)phenyl]-4-keto-butyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C21H30FNO4S MolecularWeight: 411.530603

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H30FNO4S/c1-21(2,3)27-20(25)23-13-11-16(12-14-23)5-4-6-19(24)17-7-9-18(10-8-17)28(26)15-22/h7-10,16H,4-6,11-15H2,1-3H3