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

Systemtic Name: 5-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]-2-(2-phenylbutylamino)-4-propan-2-yl-benzoic acid Openeye Name: 5-[(3-chloro-4-fluoro-phenyl)methylsulfamoyl]-4-isopropyl-2-(2-phenylbutylamino)benzoic acid CAS Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-2-(2-phenylbutylamino)-4-propan-2-ylbenzoic acid IUPAC Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-2-(2-phenylbutylamino)-4-propan-2-ylbenzoic acid Traditional Name: 5-[(3-chloro-4-fluoro-benzyl)sulfamoyl]-4-isopropyl-2-(2-phenylbutylamino)benzoic acid Formula: C27H30ClFN2O4S MolecularWeight: 533.054503

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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)C(C)C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C27H30ClFN2O4S/c1-4-19(20-8-6-5-7-9-20)16-30-25-13-21(17(2)3)26(14-22(25)27(32)33)36(34,35)31-15-18-10-11-24(29)23(28)12-18/h5-14,17,19,30-31H,4,15-16H2,1-3H3,(H,32,33)