5-bromanyl-3-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]-2-fluoranyl-benzoate

Systemtic Name: 5-bromanyl-3-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]-2-fluoranyl-benzoate Openeye Name: 5-bromo-3-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]-2-fluoro-benzoate CAS Name: 5-bromo-3-[[2-(4-ethyl-1-piperazin-4-iumyl)phenyl]sulfamoyl]-2-fluorobenzoate IUPAC Name: 5-bromo-3-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]-2-fluorobenzoate Traditional Name: 5-bromo-3-[[2-(4-ethylpiperazin-4-ium-1-yl)phenyl]sulfamoyl]-2-fluoro-benzoate Formula: C19H21BrFN3O4S MolecularWeight: 486.355143

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Descriptors Computed from Structure

Canonical SMILES:

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C(=CC(=C3)Br)C(=O)[O-])F

Isomeric SMILES

CC[NH+]1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C(=CC(=C3)Br)C(=O)[O-])F

InChI

InChI=1S/C19H21BrFN3O4S/c1-2-23-7-9-24(10-8-23)16-6-4-3-5-15(16)22-29(27,28)17-12-13(20)11-14(18(17)21)19(25)26/h3-6,11-12,22H,2,7-10H2,1H3,(H,25,26)