2,6-bis(fluoranyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 2,6-bis(fluoranyl)-3-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 2,6-difluoro-3-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 2,6-difluoro-3-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 2,6-difluoro-3-(4-methylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 2,6-difluoro-3-(4-methylpiperazino)sulfonyl-benzoic acid Formula: C12H14F2N2O4S MolecularWeight: 320.312366

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=C(C(=C(C=C2)F)C(=O)O)F

Isomeric SMILES

CN1CCN(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)