tert-butyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]piperidine-1-carboxylate

Systemtic Name: tert-butyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]piperidine-1-carboxylate Openeye Name: tert-butyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]piperidine-1-carboxylate CAS Name: 4-[[2-[(2-fluorophenyl)methylthio]ethylamino]-oxomethyl]-1-piperidinecarboxylic acid tert-butyl ester IUPAC Name: tert-butyl 4-[2-[(2-fluorophenyl)methylsulfanyl]ethylcarbamoyl]piperidine-1-carboxylate Traditional Name: 4-[2-[(2-fluorobenzyl)thio]ethylcarbamoyl]piperidine-1-carboxylic acid tert-butyl ester Formula: C20H29FN2O3S MolecularWeight: 396.519263

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCSCC2=CC=CC=C2F

Isomeric SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=O)NCCSCC2=CC=CC=C2F

InChI

InChI=1S/C20H29FN2O3S/c1-20(2,3)26-19(25)23-11-8-15(9-12-23)18(24)22-10-13-27-14-16-6-4-5-7-17(16)21/h4-7,15H,8-14H2,1-3H3,(H,22,24)