2,6-bis(fluoranyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate

Systemtic Name: 2,6-bis(fluoranyl)-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Openeye Name: 2,6-difluoro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate CAS Name: 2,6-difluoro-3-[(4-methyl-1-piperazin-4-iumyl)sulfonyl]benzoate IUPAC Name: 2,6-difluoro-3-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzoate Traditional Name: 2,6-difluoro-3-(4-methylpiperazin-4-ium-1-yl)sulfonyl-benzoate Formula: C12H14F2N2O4S MolecularWeight: 320.312366

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)F)C(=O)[O-])F

Isomeric SMILES

C[NH+]1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)F)C(=O)[O-])F

InChI

InChI=1S/C12H14F2N2O4S/c1-15-4-6-16(7-5-15)21(19,20)9-3-2-8(13)10(11(9)14)12(17)18/h2-3H,4-7H2,1H3,(H,17,18)