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

Systemtic Name: 1-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: 1-[(2-chloro-6-fluoro-phenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide CAS Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-[2-(ethylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-[(2-chloro-6-fluorophenyl)methylsulfonyl]-N-(2-ethylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: 1-(2-chloro-6-fluoro-benzyl)sulfonyl-N-[2-(ethylthio)phenyl]isonipecotamide Formula: C21H24ClFN2O3S2 MolecularWeight: 471.008263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H24ClFN2O3S2/c1-2-29-20-9-4-3-8-19(20)24-21(26)15-10-12-25(13-11-15)30(27,28)14-16-17(22)6-5-7-18(16)23/h3-9,15H,2,10-14H2,1H3,(H,24,26)