[(3S)-1-[2,4-bis(fluoranyl)-5-nitro-phenyl]sulfonylpiperidin-3-yl]azanium

Systemtic Name: [(3S)-1-[2,4-bis(fluoranyl)-5-nitro-phenyl]sulfonylpiperidin-3-yl]azanium Openeye Name: [(3S)-1-(2,4-difluoro-5-nitro-phenyl)sulfonyl-3-piperidyl]ammonium CAS Name: [(3S)-1-(2,4-difluoro-5-nitrophenyl)sulfonyl-3-piperidinyl]ammonium IUPAC Name: [(3S)-1-(2,4-difluoro-5-nitrophenyl)sulfonylpiperidin-3-yl]azanium Traditional Name: [(3S)-1-(2,4-difluoro-5-nitro-phenyl)sulfonyl-3-piperidyl]ammonium Formula: C11H14F2N3O4S+ MolecularWeight: 322.308366

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)S(=O)(=O)C2=C(C=C(C(=C2)[N+](=O)[O-])F)F)[NH3+]

Isomeric SMILES

C1C[C@@H](CN(C1)S(=O)(=O)C2=C(C=C(C(=C2)[N+](=O)[O-])F)F)[NH3+]

InChI

InChI=1S/C11H13F2N3O4S/c12-8-4-9(13)11(5-10(8)16(17)18)21(19,20)15-3-1-2-7(14)6-15/h4-5,7H,1-3,6,14H2/p+1/t7-/m0/s1