N-(2-tert-butylsulfanylethyl)-1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidine-4-carboxamide

Systemtic Name: N-(2-tert-butylsulfanylethyl)-1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]piperidine-4-carboxamide Openeye Name: N-(2-tert-butylsulfanylethyl)-1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]piperidine-4-carboxamide CAS Name: N-[2-(tert-butylthio)ethyl]-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-4-piperidinecarboxamide IUPAC Name: N-(2-tert-butylsulfanylethyl)-1-[(2-chloro-6-fluorophenyl)methylsulfonyl]piperidine-4-carboxamide Traditional Name: N-[2-(tert-butylthio)ethyl]-1-(2-chloro-6-fluoro-benzyl)sulfonyl-isonipecotamide Formula: C19H28ClFN2O3S2 MolecularWeight: 451.018623

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)SCCNC(=O)C1CCN(CC1)S(=O)(=O)CC2=C(C=CC=C2Cl)F

Isomeric SMILES

CC(C)(C)SCCNC(=O)C1CCN(CC1)S(=O)(=O)CC2=C(C=CC=C2Cl)F

InChI

InChI=1S/C19H28ClFN2O3S2/c1-19(2,3)27-12-9-22-18(24)14-7-10-23(11-8-14)28(25,26)13-15-16(20)5-4-6-17(15)21/h4-6,14H,7-13H2,1-3H3,(H,22,24)