ethyl 5-[[3-fluoranyl-4-(2-sulfamoylphenyl)phenyl]methyl]-3-propan-2-yl-1-propyl-pyrazole-4-carboxylate

Systemtic Name: ethyl 5-[[3-fluoranyl-4-(2-sulfamoylphenyl)phenyl]methyl]-3-propan-2-yl-1-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[3-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]-3-isopropyl-1-propyl-pyrazole-4-carboxylate CAS Name: 5-[[3-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]-3-propan-2-yl-1-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[3-fluoro-4-(2-sulfamoylphenyl)phenyl]methyl]-3-propan-2-yl-1-propylpyrazole-4-carboxylate Traditional Name: 5-[3-fluoro-4-(2-sulfamoylphenyl)benzyl]-3-isopropyl-1-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C25H30FN3O4S MolecularWeight: 487.586803

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H30FN3O4S/c1-5-13-29-21(23(25(30)33-6-2)24(28-29)16(3)4)15-17-11-12-18(20(26)14-17)19-9-7-8-10-22(19)34(27,31)32/h7-12,14,16H,5-6,13,15H2,1-4H3,(H2,27,31,32)