2-methylsulfonyl-4-naphthalen-1-yl-pyrimidine-5-carboxylic acid

Systemtic Name: 2-methylsulfonyl-4-naphthalen-1-yl-pyrimidine-5-carboxylic acid Openeye Name: 2-methylsulfonyl-4-(1-naphthyl)pyrimidine-5-carboxylic acid CAS Name: 2-methylsulfonyl-4-(1-naphthalenyl)-5-pyrimidinecarboxylic acid IUPAC Name: 2-methylsulfonyl-4-naphthalen-1-ylpyrimidine-5-carboxylic acid Traditional Name: 2-mesyl-4-(1-naphthyl)pyrimidine-5-carboxylic acid Formula: C16H12N2O4S MolecularWeight: 328.34248

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=NC=C(C(=N1)C2=CC=CC3=CC=CC=C32)C(=O)O

Isomeric SMILES

CS(=O)(=O)C1=NC=C(C(=N1)C2=CC=CC3=CC=CC=C32)C(=O)O

InChI

InChI=1S/C16H12N2O4S/c1-23(21,22)16-17-9-13(15(19)20)14(18-16)12-8-4-6-10-5-2-3-7-11(10)12/h2-9H,1H3,(H,19,20)