1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[3-(methylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(3-methylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-N-[3-(methylthio)phenyl]isonipecotamide Formula: C20H22ClFN2O3S2 MolecularWeight: 456.981683

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CSC1=CC=CC(=C1)NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H22ClFN2O3S2/c1-28-16-5-2-4-15(12-16)23-20(25)14-8-10-24(11-9-14)29(26,27)13-17-18(21)6-3-7-19(17)22/h2-7,12,14H,8-11,13H2,1H3,(H,23,25)