1-[(4-fluorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(4-fluorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(4-fluorobenzyl)sulfonyl-N-[3-(methylthio)phenyl]isonipecotamide Formula: C20H23FN2O3S2 MolecularWeight: 422.536623

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=C(C=C3)F

InChI

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