2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzoic acid

Systemtic Name: 2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzoic acid Openeye Name: 2-methyl-5-methylsulfonyl-4-(2-pyridylamino)benzoic acid CAS Name: 2-methyl-5-methylsulfonyl-4-(2-pyridinylamino)benzoic acid IUPAC Name: 2-methyl-5-methylsulfonyl-4-(pyridin-2-ylamino)benzoic acid Traditional Name: 5-mesyl-2-methyl-4-(2-pyridylamino)benzoic acid Formula: C14H14N2O4S MolecularWeight: 306.33696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)NC2=CC=CC=N2

Isomeric SMILES

CC1=CC(=C(C=C1C(=O)O)S(=O)(=O)C)NC2=CC=CC=N2

InChI

InChI=1S/C14H14N2O4S/c1-9-7-11(16-13-5-3-4-6-15-13)12(21(2,19)20)8-10(9)14(17)18/h3-8H,1-2H3,(H,15,16)(H,17,18)