4-bromanyl-5-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid

Systemtic Name: 4-bromanyl-5-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid Openeye Name: 4-bromo-5-[(3-chloro-4-fluoro-phenyl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid CAS Name: 4-bromo-5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid IUPAC Name: 4-bromo-5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-2-(2-phenylbutylamino)benzoic acid Traditional Name: 4-bromo-5-[(3-chloro-4-fluoro-benzyl)sulfamoyl]-2-(2-phenylbutylamino)benzoic acid Formula: C24H23BrClFN2O4S MolecularWeight: 569.870823

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC2=CC(=C(C=C2)F)Cl)Br)C3=CC=CC=C3

Isomeric SMILES

CCC(CNC1=CC(=C(C=C1C(=O)O)S(=O)(=O)NCC2=CC(=C(C=C2)F)Cl)Br)C3=CC=CC=C3

InChI

InChI=1S/C24H23BrClFN2O4S/c1-2-16(17-6-4-3-5-7-17)14-28-22-12-19(25)23(11-18(22)24(30)31)34(32,33)29-13-15-8-9-21(27)20(26)10-15/h3-12,16,28-29H,2,13-14H2,1H3,(H,30,31)