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

Systemtic Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-[2-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-(2-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-fluorobenzyl)sulfonyl-N-[2-(methylthio)phenyl]isonipecotamide Formula: C20H23FN2O3S2 MolecularWeight: 422.536623

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

InChI

InChI=1S/C20H23FN2O3S2/c1-27-19-5-3-2-4-18(19)22-20(24)16-10-12-23(13-11-16)28(25,26)14-15-6-8-17(21)9-7-15/h2-9,16H,10-14H2,1H3,(H,22,24)