[2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]carbamoyl 2-(3-cyano-4-fluoranyl-phenyl)-1-ethyl-3H-pyrazole-3-carboxylate

Systemtic Name: [2-fluoranyl-6-(2-methylsulfonylphenyl)phenyl]carbamoyl 2-(3-cyano-4-fluoranyl-phenyl)-1-ethyl-3H-pyrazole-3-carboxylate Openeye Name: [2-fluoro-6-(2-methylsulfonylphenyl)phenyl]carbamoyl 2-(3-cyano-4-fluoro-phenyl)-1-ethyl-3H-pyrazole-3-carboxylate CAS Name: 2-(3-cyano-4-fluorophenyl)-1-ethyl-3H-pyrazole-3-carboxylic acid [[2-fluoro-6-(2-methylsulfonylphenyl)anilino]-oxomethyl] ester IUPAC Name: [2-fluoro-6-(2-methylsulfonylphenyl)phenyl]carbamoyl 2-(3-cyano-4-fluorophenyl)-1-ethyl-3H-pyrazole-3-carboxylate Traditional Name: 2-(3-cyano-4-fluoro-phenyl)-1-ethyl-3-pyrazoline-3-carboxylic acid [2-fluoro-6-(2-mesylphenyl)phenyl]carbamoyl ester Formula: C27H22F2N4O5S MolecularWeight: 552.549186

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN1C=CC(N1C2=CC(=C(C=C2)F)C#N)C(=O)OC(=O)NC3=C(C=CC=C3F)C4=CC=CC=C4S(=O)(=O)C

Isomeric SMILES

CCN1C=CC(N1C2=CC(=C(C=C2)F)C#N)C(=O)OC(=O)NC3=C(C=CC=C3F)C4=CC=CC=C4S(=O)(=O)C

InChI

InChI=1S/C27H22F2N4O5S/c1-3-32-14-13-23(33(32)18-11-12-21(28)17(15-18)16-30)26(34)38-27(35)31-25-20(8-6-9-22(25)29)19-7-4-5-10-24(19)39(2,36)37/h4-15,23H,3H2,1-2H3,(H,31,35)