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

Systemtic Name: ethyl 5-[[4-[2-(tert-butylsulfamoyl)phenyl]-3-fluoranyl-phenyl]methyl]-3-propan-2-yl-1-propyl-pyrazole-4-carboxylate Openeye Name: ethyl 5-[[4-[2-(tert-butylsulfamoyl)phenyl]-3-fluoro-phenyl]methyl]-3-isopropyl-1-propyl-pyrazole-4-carboxylate CAS Name: 5-[[4-[2-(tert-butylsulfamoyl)phenyl]-3-fluorophenyl]methyl]-3-propan-2-yl-1-propyl-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[4-[2-(tert-butylsulfamoyl)phenyl]-3-fluorophenyl]methyl]-3-propan-2-yl-1-propylpyrazole-4-carboxylate Traditional Name: 5-[4-[2-(tert-butylsulfamoyl)phenyl]-3-fluoro-benzyl]-3-isopropyl-1-propyl-pyrazole-4-carboxylic acid ethyl ester Formula: C29H38FN3O4S MolecularWeight: 543.693123

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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)NC(C)(C)C)F

Isomeric SMILES

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

InChI

InChI=1S/C29H38FN3O4S/c1-8-16-33-24(26(28(34)37-9-2)27(31-33)19(3)4)18-20-14-15-21(23(30)17-20)22-12-10-11-13-25(22)38(35,36)32-29(5,6)7/h10-15,17,19,32H,8-9,16,18H2,1-7H3