ethyl 1-(3-cyanophenyl)-5-[[2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]carbamoyl]-3-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-(3-cyanophenyl)-5-[[2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]carbamoyl]-3-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-(3-cyanophenyl)-5-[[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]carbamoyl]-3-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-(3-cyanophenyl)-5-[[2-fluoro-6-(2-methylsulfonylphenyl)anilino]-oxomethyl]-3-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-cyanophenyl)-5-[[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]carbamoyl]-3-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-(3-cyanophenyl)-5-[[2-fluoro-6-(2-mesylphenyl)phenyl]carbamoyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C28H20F4N4O5S MolecularWeight: 600.540813

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=CC(=C2)C#N)C(=O)NC3=C(C=CC=C3F)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1C(F)(F)F)C2=CC=CC(=C2)C#N)C(=O)NC3=C(C=CC=C3F)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C28H20F4N4O5S/c1-3-41-27(38)22-24(36(35-25(22)28(30,31)32)17-9-6-8-16(14-17)15-33)26(37)34-23-19(11-7-12-20(23)29)18-10-4-5-13-21(18)42(2,39)40/h4-14H,3H2,1-2H3,(H,34,37)