tert-butyl 4-[3-[(3-fluoranyl-4-methylsulfinyl-phenyl)amino]propyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[3-[(3-fluoranyl-4-methylsulfinyl-phenyl)amino]propyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[3-(3-fluoro-4-methylsulfinyl-anilino)propyl]piperidine-1-carboxylate CAS Name: 4-[3-(3-fluoro-4-methylsulfinylanilino)propyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[3-(3-fluoro-4-methylsulfinylanilino)propyl]piperidine-1-carboxylate Traditional Name: 4-[3-(3-fluoro-4-methylsulfinyl-anilino)propyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H31FN2O3S MolecularWeight: 398.535143

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)CCCNC2=CC(=C(C=C2)S(=O)C)F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)CCCNC2=CC(=C(C=C2)S(=O)C)F

InChI

InChI=1S/C20H31FN2O3S/c1-20(2,3)26-19(24)23-12-9-15(10-13-23)6-5-11-22-16-7-8-18(27(4)25)17(21)14-16/h7-8,14-15,22H,5-6,9-13H2,1-4H3