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

Systemtic Name: 5-[(3-chloranyl-4-fluoranyl-phenyl)methylsulfamoyl]-2-(1-phenylbutylamino)-4-propan-2-yl-benzoic acid Openeye Name: 5-[(3-chloro-4-fluoro-phenyl)methylsulfamoyl]-4-isopropyl-2-(1-phenylbutylamino)benzoic acid CAS Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-2-(1-phenylbutylamino)-4-propan-2-ylbenzoic acid IUPAC Name: 5-[(3-chloro-4-fluorophenyl)methylsulfamoyl]-2-(1-phenylbutylamino)-4-propan-2-ylbenzoic acid Traditional Name: 5-[(3-chloro-4-fluoro-benzyl)sulfamoyl]-4-isopropyl-2-(1-phenylbutylamino)benzoic acid Formula: C27H30ClFN2O4S MolecularWeight: 533.054503

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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(C)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(C)C

InChI

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