ethyl 1-[3-[(4-methylsulfonylphenyl)carbonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[3-[(4-methylsulfonylphenyl)carbonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[3-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[3-[[(4-methylsulfonylphenyl)-oxomethyl]amino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[3-[(4-methylsulfonylbenzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[3-[(4-mesylbenzoyl)amino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C21H18F3N3O5S MolecularWeight: 481.44493

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)C1=C(N(N=C1)C2=CC(=CC=C2)NC(=O)C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C21H18F3N3O5S/c1-3-32-20(29)17-12-25-27(18(17)21(22,23)24)15-6-4-5-14(11-15)26-19(28)13-7-9-16(10-8-13)33(2,30)31/h4-12H,3H2,1-2H3,(H,26,28)