2-[butyl-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]amino]-4-propyl-benzoic acid

Systemtic Name: 2-[butyl-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]amino]-4-propyl-benzoic acid Openeye Name: 2-[butyl-[(3-chloro-4-fluoro-phenyl)methylsulfamoyl]amino]-4-propyl-benzoic acid CAS Name: 2-[butyl-[(3-chloro-4-fluorophenyl)methylsulfamoyl]amino]-4-propylbenzoic acid IUPAC Name: 2-[butyl-[(3-chloro-4-fluorophenyl)methylsulfamoyl]amino]-4-propylbenzoic acid Traditional Name: 2-[butyl-[(3-chloro-4-fluoro-benzyl)sulfamoyl]amino]-4-propyl-benzoic acid Formula: C21H26ClFN2O4S MolecularWeight: 456.958543

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=C(C=CC(=C1)CCC)C(=O)O)S(=O)(=O)NCC2=CC(=C(C=C2)F)Cl

Isomeric SMILES

CCCCN(C1=C(C=CC(=C1)CCC)C(=O)O)S(=O)(=O)NCC2=CC(=C(C=C2)F)Cl

InChI

InChI=1S/C21H26ClFN2O4S/c1-3-5-11-25(20-13-15(6-4-2)7-9-17(20)21(26)27)30(28,29)24-14-16-8-10-19(23)18(22)12-16/h7-10,12-13,24H,3-6,11,14H2,1-2H3,(H,26,27)