1-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[(2-fluorophenyl)methylsulfonyl]-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-fluorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-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=CC=C3F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3F

InChI

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