ethyl 5-cyano-6-methyl-2-(pyridin-4-ylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: ethyl 5-cyano-6-methyl-2-(pyridin-4-ylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 5-cyano-6-methyl-2-(4-pyridylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 5-cyano-6-methyl-2-(pyridin-4-ylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-cyano-6-methyl-2-(pyridin-4-ylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-cyano-6-methyl-2-(4-pyridylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C23H20F3N3O4S MolecularWeight: 491.48281

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C#N)C)CS(=O)(=O)C3=CC=NC=C3

Isomeric SMILES

CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C(F)(F)F)C#N)C)CS(=O)(=O)C3=CC=NC=C3

InChI

InChI=1S/C23H20F3N3O4S/c1-3-33-22(30)21-19(13-34(31,32)15-8-10-28-11-9-15)29-14(2)17(12-27)20(21)16-6-4-5-7-18(16)23(24,25)26/h4-11,20,29H,3,13H2,1-2H3