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

Systemtic Name: 1-[3,4-bis(fluoranyl)phenyl]sulfonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-1-(3,4-difluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(3,4-difluorophenyl)sulfonyl-N-[2-(prop-2-enylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(3,4-difluorophenyl)sulfonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-1-(3,4-difluorophenyl)sulfonyl-isonipecotamide Formula: C21H22F2N2O3S2 MolecularWeight: 452.537786

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

Isomeric SMILES

C=CCSC1=CC=CC=C1NC(=O)C2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)F

InChI

InChI=1S/C21H22F2N2O3S2/c1-2-13-29-20-6-4-3-5-19(20)24-21(26)15-9-11-25(12-10-15)30(27,28)16-7-8-17(22)18(23)14-16/h2-8,14-15H,1,9-13H2,(H,24,26)