5-bromanyl-2-fluoranyl-3-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid

Systemtic Name: 5-bromanyl-2-fluoranyl-3-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid Openeye Name: 5-bromo-2-fluoro-3-(4-methylpiperazin-1-yl)sulfonyl-benzoic acid CAS Name: 5-bromo-2-fluoro-3-[(4-methyl-1-piperazinyl)sulfonyl]benzoic acid IUPAC Name: 5-bromo-2-fluoro-3-(4-methylpiperazin-1-yl)sulfonylbenzoic acid Traditional Name: 5-bromo-2-fluoro-3-(4-methylpiperazino)sulfonyl-benzoic acid Formula: C12H14BrFN2O4S MolecularWeight: 381.217963

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrFN2O4S/c1-15-2-4-16(5-3-15)21(19,20)10-7-8(13)6-9(11(10)14)12(17)18/h6-7H,2-5H2,1H3,(H,17,18)