ethyl 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate

Systemtic Name: ethyl 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Openeye Name: ethyl 1-[4-(p-tolylsulfonylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate CAS Name: 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)-4-pyrazolecarboxylic acid ethyl ester IUPAC Name: ethyl 1-[4-[(4-methylphenyl)sulfonylamino]phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylate Traditional Name: 1-[4-(tosylamino)phenyl]-5-(trifluoromethyl)pyrazole-4-carboxylic acid ethyl ester Formula: C20H18F3N3O4S MolecularWeight: 453.43483

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H18F3N3O4S/c1-3-30-19(27)17-12-24-26(18(17)20(21,22)23)15-8-6-14(7-9-15)25-31(28,29)16-10-4-13(2)5-11-16/h4-12,25H,3H2,1-2H3