ethyl 4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate

Systemtic Name: ethyl 4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Openeye Name: ethyl 4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate CAS Name: 4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)-3-pyrazolyl]-3,6-dihydro-2H-pyridine-1-carboxylic acid ethyl ester IUPAC Name: ethyl 4-[2-(4-methylsulfonylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylate Traditional Name: 4-[2-(4-mesylphenyl)-5-(trifluoromethyl)pyrazol-3-yl]-3,6-dihydro-2H-pyridine-1-carboxylic acid ethyl ester Formula: C19H20F3N3O4S MolecularWeight: 443.44001

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCC(=CC1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

Isomeric SMILES

CCOC(=O)N1CCC(=CC1)C2=CC(=NN2C3=CC=C(C=C3)S(=O)(=O)C)C(F)(F)F

InChI

InChI=1S/C19H20F3N3O4S/c1-3-29-18(26)24-10-8-13(9-11-24)16-12-17(19(20,21)22)23-25(16)14-4-6-15(7-5-14)30(2,27)28/h4-8,12H,3,9-11H2,1-2H3