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

Systemtic Name: ethyl 5-cyano-6-methyl-2-(phenylsulfonylmethyl)-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: ethyl 2-(benzenesulfonylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2-(benzenesulfonylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester IUPAC Name: ethyl 2-(benzenesulfonylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 2-(besylmethyl)-5-cyano-6-methyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid ethyl ester Formula: C24H21F3N2O4S MolecularWeight: 490.49475

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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=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C24H21F3N2O4S/c1-3-33-23(30)22-20(14-34(31,32)16-9-5-4-6-10-16)29-15(2)18(13-28)21(22)17-11-7-8-12-19(17)24(25,26)27/h4-12,21,29H,3,14H2,1-2H3