1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide Openeye Name: 1-(2,5-difluorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide CAS Name: 1-(2,5-difluorophenyl)sulfonyl-N-[3-(phenylthio)propyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-N-(3-phenylsulfanylpropyl)piperidine-4-carboxamide Traditional Name: 1-(2,5-difluorophenyl)sulfonyl-N-[3-(phenylthio)propyl]isonipecotamide Formula: C21H24F2N2O3S2 MolecularWeight: 454.553666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H24F2N2O3S2/c22-17-7-8-19(23)20(15-17)30(27,28)25-12-9-16(10-13-25)21(26)24-11-4-14-29-18-5-2-1-3-6-18/h1-3,5-8,15-16H,4,9-14H2,(H,24,26)