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

Systemtic Name: 5-bromanyl-3-[[2-(4-ethylpiperazin-1-yl)phenyl]sulfamoyl]-2-fluoranyl-benzoic acid Openeye Name: 5-bromo-3-[[2-(4-ethylpiperazin-1-yl)phenyl]sulfamoyl]-2-fluoro-benzoic acid CAS Name: 5-bromo-3-[[2-(4-ethyl-1-piperazinyl)phenyl]sulfamoyl]-2-fluorobenzoic acid IUPAC Name: 5-bromo-3-[[2-(4-ethylpiperazin-1-yl)phenyl]sulfamoyl]-2-fluorobenzoic acid Traditional Name: 5-bromo-3-[[2-(4-ethylpiperazino)phenyl]sulfamoyl]-2-fluoro-benzoic acid Formula: C19H21BrFN3O4S MolecularWeight: 486.355143

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCN(CC1)C2=CC=CC=C2NS(=O)(=O)C3=C(C(=CC(=C3)Br)C(=O)O)F

Isomeric SMILES

CCN1CCN(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)