5-[[4-[2-(tert-butylsulfamoyl)phenyl]-3-fluoranyl-phenyl]methyl]-3-propan-2-yl-1-propyl-pyrazole-4-carboxylic acid

Systemtic Name: 5-[[4-[2-(tert-butylsulfamoyl)phenyl]-3-fluoranyl-phenyl]methyl]-3-propan-2-yl-1-propyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[4-[2-(tert-butylsulfamoyl)phenyl]-3-fluoro-phenyl]methyl]-3-isopropyl-1-propyl-pyrazole-4-carboxylic acid CAS Name: 5-[[4-[2-(tert-butylsulfamoyl)phenyl]-3-fluorophenyl]methyl]-3-propan-2-yl-1-propyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[4-[2-(tert-butylsulfamoyl)phenyl]-3-fluorophenyl]methyl]-3-propan-2-yl-1-propylpyrazole-4-carboxylic acid Traditional Name: 5-[4-[2-(tert-butylsulfamoyl)phenyl]-3-fluoro-benzyl]-3-isopropyl-1-propyl-pyrazole-4-carboxylic acid Formula: C27H34FN3O4S MolecularWeight: 515.639963

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=C(C(=N1)C(C)C)C(=O)O)CC2=CC(=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)F

Isomeric SMILES

CCCN1C(=C(C(=N1)C(C)C)C(=O)O)CC2=CC(=C(C=C2)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)F

InChI

InChI=1S/C27H34FN3O4S/c1-7-14-31-22(24(26(32)33)25(29-31)17(2)3)16-18-12-13-19(21(28)15-18)20-10-8-9-11-23(20)36(34,35)30-27(4,5)6/h8-13,15,17,30H,7,14,16H2,1-6H3,(H,32,33)