N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide

Systemtic Name: N-[2-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Openeye Name: N-[2-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide CAS Name: N-[2-[(2-chloro-6-fluorophenyl)methylthio]ethyl]-1-(3-phenylpropylsulfonyl)-4-piperidinecarboxamide IUPAC Name: N-[2-[(2-chloro-6-fluorophenyl)methylsulfanyl]ethyl]-1-(3-phenylpropylsulfonyl)piperidine-4-carboxamide Traditional Name: N-[2-[(2-chloro-6-fluoro-benzyl)thio]ethyl]-1-(3-phenylpropylsulfonyl)isonipecotamide Formula: C24H30ClFN2O3S2 MolecularWeight: 513.088003

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=C(C=CC=C2Cl)F)S(=O)(=O)CCCC3=CC=CC=C3

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=C(C=CC=C2Cl)F)S(=O)(=O)CCCC3=CC=CC=C3

InChI

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