2,6-dimethyl-4-(4-methylphenyl)-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid

Systemtic Name: 2,6-dimethyl-4-(4-methylphenyl)-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 2,6-dimethyl-5-methylsulfonyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylic acid CAS Name: 2,6-dimethyl-4-(4-methylphenyl)-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 2,6-dimethyl-4-(4-methylphenyl)-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 5-mesyl-2,6-dimethyl-4-(p-tolyl)-1,4-dihydropyridine-3-carboxylic acid Formula: C16H19NO4S MolecularWeight: 321.39136

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(=C(NC(=C2S(=O)(=O)C)C)C)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)C2C(=C(NC(=C2S(=O)(=O)C)C)C)C(=O)O

InChI

InChI=1S/C16H19NO4S/c1-9-5-7-12(8-6-9)14-13(16(18)19)10(2)17-11(3)15(14)22(4,20)21/h5-8,14,17H,1-4H3,(H,18,19)