N-(2-tert-butylsulfanylethyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(2-tert-butylsulfanylethyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[2-(tert-butylthio)ethyl]-1-[(4-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-1-[(4-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(tert-butylthio)ethyl]-1-(4-fluorobenzyl)sulfonyl-isonipecotamide Formula: C19H29FN2O3S2 MolecularWeight: 416.573563

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)F

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1CCN(CC1)S(=O)(=O)CC2=CC=C(C=C2)F

InChI

InChI=1S/C19H29FN2O3S2/c1-19(2,3)26-13-10-21-18(23)16-8-11-22(12-9-16)27(24,25)14-15-4-6-17(20)7-5-15/h4-7,16H,8-14H2,1-3H3,(H,21,23)