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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=C(C(=C1)NC(CCC)C2=CC=CC=C2)C(=O)O)S(=O)(=O)NCC3=CC(=C(C=C3)F)Cl

Isomeric SMILES

CCCC1=C(C=C(C(=C1)NC(CCC)C2=CC=CC=C2)C(=O)O)S(=O)(=O)NCC3=CC(=C(C=C3)F)Cl

InChI

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