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

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)sulfonyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Openeye Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide CAS Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[2-[(2-cyanophenyl)methylthio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-(3-chloro-4-fluorophenyl)sulfonyl-N-[2-[(2-cyanophenyl)methylsulfanyl]ethyl]piperidine-4-carboxamide Traditional Name: 1-(3-chloro-4-fluoro-phenyl)sulfonyl-N-[2-[(2-cyanobenzyl)thio]ethyl]isonipecotamide Formula: C22H23ClFN3O3S2 MolecularWeight: 496.017723

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2C#N)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

Isomeric SMILES

C1CN(CCC1C(=O)NCCSCC2=CC=CC=C2C#N)S(=O)(=O)C3=CC(=C(C=C3)F)Cl

InChI

InChI=1S/C22H23ClFN3O3S2/c23-20-13-19(5-6-21(20)24)32(29,30)27-10-7-16(8-11-27)22(28)26-9-12-31-15-18-4-2-1-3-17(18)14-25/h1-6,13,16H,7-12,15H2,(H,26,28)