2-(fluoranylmethyl)-6-methyl-4-(2-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid

Systemtic Name: 2-(fluoranylmethyl)-6-methyl-4-(2-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Openeye Name: 2-(fluoromethyl)-6-methyl-4-(2-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid CAS Name: 2-(fluoromethyl)-6-methyl-4-(2-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid IUPAC Name: 2-(fluoromethyl)-6-methyl-4-(2-methylsulfonylphenyl)-1,4-dihydropyridine-3,5-dicarboxylic acid Traditional Name: 2-(fluoromethyl)-4-(2-mesylphenyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylic acid Formula: C16H16FNO6S MolecularWeight: 369.364743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)CF)C(=O)O)C2=CC=CC=C2S(=O)(=O)C)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)CF)C(=O)O)C2=CC=CC=C2S(=O)(=O)C)C(=O)O

InChI

InChI=1S/C16H16FNO6S/c1-8-12(15(19)20)13(14(16(21)22)10(7-17)18-8)9-5-3-4-6-11(9)25(2,23)24/h3-6,13,18H,7H2,1-2H3,(H,19,20)(H,21,22)