5-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]-4-methyl-2-(1-phenylbutylamino)benzoic acid

Systemtic Name: 5-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]-4-methyl-2-(1-phenylbutylamino)benzoic acid Openeye Name: 5-[(3-chloro-4-fluoro-phenyl)methylsulfamoyl]-4-methyl-2-(1-phenylbutylamino)benzoic acid CAS Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-4-methyl-2-(1-phenylbutylamino)benzoic acid IUPAC Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-4-methyl-2-(1-phenylbutylamino)benzoic acid Traditional Name: 5-[(3-chloro-4-fluoro-benzyl)sulfamoyl]-4-methyl-2-(1-phenylbutylamino)benzoic acid Formula: C25H26ClFN2O4S MolecularWeight: 505.001343

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC2=CC(=C(C=C2C(=O)O)S(=O)(=O)NCC3=CC(=C(C=C3)F)Cl)C

Isomeric SMILES

CCCC(C1=CC=CC=C1)NC2=CC(=C(C=C2C(=O)O)S(=O)(=O)NCC3=CC(=C(C=C3)F)Cl)C

InChI

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