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

Systemtic Name: 5-[[3-fluoranyl-4-[2-(2-methylpropoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-3-propan-2-yl-1-propyl-pyrazole-4-carboxylic acid Openeye Name: 5-[[3-fluoro-4-[2-(isobutoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-3-isopropyl-1-propyl-pyrazole-4-carboxylic acid CAS Name: 5-[[3-fluoro-4-[2-[[2-methylpropoxy(oxo)methyl]sulfamoyl]phenyl]phenyl]methyl]-3-propan-2-yl-1-propyl-4-pyrazolecarboxylic acid IUPAC Name: 5-[[3-fluoro-4-[2-(2-methylpropoxycarbonylsulfamoyl)phenyl]phenyl]methyl]-3-propan-2-yl-1-propylpyrazole-4-carboxylic acid Traditional Name: 5-[3-fluoro-4-[2-(isobutoxycarbonylsulfamoyl)phenyl]benzyl]-3-isopropyl-1-propyl-pyrazole-4-carboxylic acid Formula: C28H34FN3O6S MolecularWeight: 559.649463

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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(=O)OCC(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(=O)OCC(C)C)F

InChI

InChI=1S/C28H34FN3O6S/c1-6-13-32-23(25(27(33)34)26(30-32)18(4)5)15-19-11-12-20(22(29)14-19)21-9-7-8-10-24(21)39(36,37)31-28(35)38-16-17(2)3/h7-12,14,17-18H,6,13,15-16H2,1-5H3,(H,31,35)(H,33,34)