[2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate

Systemtic Name: [2-[(2-chloranyl-5-methylsulfonyl-phenyl)amino]-2-oxidanylidene-ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate Openeye Name: [2-(2-chloro-5-methylsulfonyl-anilino)-2-oxo-ethyl] 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylate CAS Name: 3-(4-fluorophenyl)-1-phenyl-4-pyrazolecarboxylic acid [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-chloro-5-methylsulfonylanilino)-2-oxoethyl] 3-(4-fluorophenyl)-1-phenylpyrazole-4-carboxylate Traditional Name: 3-(4-fluorophenyl)-1-phenyl-pyrazole-4-carboxylic acid [2-(2-chloro-5-mesyl-anilino)-2-keto-ethyl] ester Formula: C25H19ClFN3O5S MolecularWeight: 527.951863

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CS(=O)(=O)C1=CC(=C(C=C1)Cl)NC(=O)COC(=O)C2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C25H19ClFN3O5S/c1-36(33,34)19-11-12-21(26)22(13-19)28-23(31)15-35-25(32)20-14-30(18-5-3-2-4-6-18)29-24(20)16-7-9-17(27)10-8-16/h2-14H,15H2,1H3,(H,28,31)