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

Systemtic Name: 4-(3-cyanophenyl)-2,6-dimethyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Openeye Name: 4-(3-cyanophenyl)-2,6-dimethyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid CAS Name: 4-(3-cyanophenyl)-2,6-dimethyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid IUPAC Name: 4-(3-cyanophenyl)-2,6-dimethyl-5-methylsulfonyl-1,4-dihydropyridine-3-carboxylic acid Traditional Name: 4-(3-cyanophenyl)-5-mesyl-2,6-dimethyl-1,4-dihydropyridine-3-carboxylic acid Formula: C16H16N2O4S MolecularWeight: 332.37424

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(C(=C(N1)C)S(=O)(=O)C)C2=CC=CC(=C2)C#N)C(=O)O

Isomeric SMILES

CC1=C(C(C(=C(N1)C)S(=O)(=O)C)C2=CC=CC(=C2)C#N)C(=O)O

InChI

InChI=1S/C16H16N2O4S/c1-9-13(16(19)20)14(12-6-4-5-11(7-12)8-17)15(10(2)18-9)23(3,21)22/h4-7,14,18H,1-3H3,(H,19,20)