methyl 2,6-dimethyl-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate

Systemtic Name: methyl 2,6-dimethyl-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Openeye Name: methyl 2,6-dimethyl-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate CAS Name: 2,6-dimethyl-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester IUPAC Name: methyl 2,6-dimethyl-5-methylsulfonyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylate Traditional Name: 5-mesyl-2,6-dimethyl-4-[2-(trifluoromethyl)phenyl]-1,4-dihydropyridine-3-carboxylic acid methyl ester Formula: C17H18F3NO4S MolecularWeight: 389.38933

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)S(=O)(=O)C)C2=CC=CC=C2C(F)(F)F)C(=O)OC

Isomeric SMILES

CC1=C(C(C(=C(N1)C)S(=O)(=O)C)C2=CC=CC=C2C(F)(F)F)C(=O)OC

InChI

InChI=1S/C17H18F3NO4S/c1-9-13(16(22)25-3)14(15(10(2)21-9)26(4,23)24)11-7-5-6-8-12(11)17(18,19)20/h5-8,14,21H,1-4H3