[1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-sulfamoyl-benzoate

Systemtic Name: [1-[(4-bromanyl-2-fluoranyl-phenyl)amino]-1-oxidanylidene-propan-2-yl] 2-chloranyl-5-sulfamoyl-benzoate Openeye Name: [2-(4-bromo-2-fluoro-anilino)-1-methyl-2-oxo-ethyl] 2-chloro-5-sulfamoyl-benzoate CAS Name: 2-chloro-5-sulfamoylbenzoic acid [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-bromo-2-fluoroanilino)-1-oxopropan-2-yl] 2-chloro-5-sulfamoylbenzoate Traditional Name: 2-chloro-5-sulfamoyl-benzoic acid [2-(4-bromo-2-fluoro-anilino)-2-keto-1-methyl-ethyl] ester Formula: C16H13BrClFN2O5S MolecularWeight: 479.705223

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl

Isomeric SMILES

CC(C(=O)NC1=C(C=C(C=C1)Br)F)OC(=O)C2=C(C=CC(=C2)S(=O)(=O)N)Cl

InChI

InChI=1S/C16H13BrClFN2O5S/c1-8(15(22)21-14-5-2-9(17)6-13(14)19)26-16(23)11-7-10(27(20,24)25)3-4-12(11)18/h2-8H,1H3,(H,21,22)(H2,20,24,25)