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

Systemtic Name: 5-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]-4-methyl-2-(2-phenylbutylamino)benzoic acid Openeye Name: 5-[(3-chloro-4-fluoro-phenyl)methylsulfamoyl]-4-methyl-2-(2-phenylbutylamino)benzoic acid CAS Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-4-methyl-2-(2-phenylbutylamino)benzoic acid IUPAC Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-4-methyl-2-(2-phenylbutylamino)benzoic acid Traditional Name: 5-[(3-chloro-4-fluoro-benzyl)sulfamoyl]-4-methyl-2-(2-phenylbutylamino)benzoic acid Formula: C25H26ClFN2O4S MolecularWeight: 505.001343

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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)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)C3=CC=CC=C3

InChI

InChI=1S/C25H26ClFN2O4S/c1-3-18(19-7-5-4-6-8-19)15-28-23-11-16(2)24(13-20(23)25(30)31)34(32,33)29-14-17-9-10-22(27)21(26)12-17/h4-13,18,28-29H,3,14-15H2,1-2H3,(H,30,31)