ethyl 5-[[2-[2-(tert-butylsulfamoyl)phenyl]-6-fluoranyl-phenyl]carbamoyl]-1-(3-cyano-4-fluoranyl-phenyl)pyrazole-3-carboxylate

Systemtic Name: ethyl 5-[[2-[2-(tert-butylsulfamoyl)phenyl]-6-fluoranyl-phenyl]carbamoyl]-1-(3-cyano-4-fluoranyl-phenyl)pyrazole-3-carboxylate Openeye Name: ethyl 5-[[2-[2-(tert-butylsulfamoyl)phenyl]-6-fluoro-phenyl]carbamoyl]-1-(3-cyano-4-fluoro-phenyl)pyrazole-3-carboxylate CAS Name: 5-[[2-[2-(tert-butylsulfamoyl)phenyl]-6-fluoroanilino]-oxomethyl]-1-(3-cyano-4-fluorophenyl)-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 5-[[2-[2-(tert-butylsulfamoyl)phenyl]-6-fluorophenyl]carbamoyl]-1-(3-cyano-4-fluorophenyl)pyrazole-3-carboxylate Traditional Name: 5-[[2-[2-(tert-butylsulfamoyl)phenyl]-6-fluoro-phenyl]carbamoyl]-1-(3-cyano-4-fluoro-phenyl)pyrazole-3-carboxylic acid ethyl ester Formula: C30H27F2N5O5S MolecularWeight: 607.627686

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=C1)C(=O)NC2=C(C=CC=C2F)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)C4=CC(=C(C=C4)F)C#N

Isomeric SMILES

CCOC(=O)C1=NN(C(=C1)C(=O)NC2=C(C=CC=C2F)C3=CC=CC=C3S(=O)(=O)NC(C)(C)C)C4=CC(=C(C=C4)F)C#N

InChI

InChI=1S/C30H27F2N5O5S/c1-5-42-29(39)24-16-25(37(35-24)19-13-14-22(31)18(15-19)17-33)28(38)34-27-21(10-8-11-23(27)32)20-9-6-7-12-26(20)43(40,41)36-30(2,3)4/h6-16,36H,5H2,1-4H3,(H,34,38)