N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-1-(3-phenylpropylsulfonyl)-3-piperidinecarboxamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-3-carboxamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-1-(3-phenylpropylsulfonyl)nipecotamide Formula: C24H30ClFN2O3S2 MolecularWeight: 513.088003

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NCCSCC3=C(C=CC=C3Cl)F

Isomeric SMILES

C1CC(CN(C1)S(=O)(=O)CCCC2=CC=CC=C2)C(=O)NCCSCC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C24H30ClFN2O3S2/c25-22-11-4-12-23(26)21(22)18-32-15-13-27-24(29)20-10-5-14-28(17-20)33(30,31)16-6-9-19-7-2-1-3-8-19/h1-4,7-8,11-12,20H,5-6,9-10,13-18H2,(H,27,29)