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

Systemtic Name: 1-[2,5-bis(fluoranyl)phenyl]sulfonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide Openeye Name: N-(2-allylsulfanylphenyl)-1-(2,5-difluorophenyl)sulfonyl-piperidine-4-carboxamide CAS Name: 1-(2,5-difluorophenyl)sulfonyl-N-[2-(prop-2-enylthio)phenyl]-4-piperidinecarboxamide IUPAC Name: 1-(2,5-difluorophenyl)sulfonyl-N-(2-prop-2-enylsulfanylphenyl)piperidine-4-carboxamide Traditional Name: N-[2-(allylthio)phenyl]-1-(2,5-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=C(C=CC(=C3)F)F

Isomeric SMILES

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

InChI

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