1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[3-(phenylthio)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-[3-(phenylthio)propyl]isonipecotamide Formula: C21H24ClFN2O3S2 MolecularWeight: 471.008263

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCCSC2=CC=CC=C2)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C21H24ClFN2O3S2/c22-19-15-18(7-8-20(19)23)30(27,28)25-12-9-16(10-13-25)21(26)24-11-4-14-29-17-5-2-1-3-6-17/h1-3,5-8,15-16H,4,9-14H2,(H,24,26)