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

Systemtic Name: ethyl 1-(3-cyanophenyl)-5-[[2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]carbamoyl]pyrazole-3-carboxylate Openeye Name: ethyl 1-(3-cyanophenyl)-5-[[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]carbamoyl]pyrazole-3-carboxylate CAS Name: 1-(3-cyanophenyl)-5-[[2-fluoro-6-(2-methylsulfonylphenyl)anilino]-oxomethyl]-3-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-(3-cyanophenyl)-5-[[2-fluoro-6-(2-methylsulfonylphenyl)phenyl]carbamoyl]pyrazole-3-carboxylate Traditional Name: 1-(3-cyanophenyl)-5-[[2-fluoro-6-(2-mesylphenyl)phenyl]carbamoyl]pyrazole-3-carboxylic acid ethyl ester Formula: C27H21FN4O5S MolecularWeight: 532.542843

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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)C)C4=CC=CC(=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C27H21FN4O5S/c1-3-37-27(34)22-15-23(32(31-22)18-9-6-8-17(14-18)16-29)26(33)30-25-20(11-7-12-21(25)28)19-10-4-5-13-24(19)38(2,35)36/h4-15H,3H2,1-2H3,(H,30,33)