5-bromanyl-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridine-7-carboxylic acid

Systemtic Name: 5-bromanyl-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridine-7-carboxylic acid Openeye Name: 5-bromo-8-(p-tolylsulfonyloxy)-1,6-naphthyridine-7-carboxylic acid CAS Name: 5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridine-7-carboxylic acid IUPAC Name: 5-bromo-8-(4-methylphenyl)sulfonyloxy-1,6-naphthyridine-7-carboxylic acid Traditional Name: 5-bromo-8-tosyloxy-1,6-naphthyridine-7-carboxylic acid Formula: C16H11BrN2O5S MolecularWeight: 423.23794

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N=C(C3=C2N=CC=C3)Br)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(N=C(C3=C2N=CC=C3)Br)C(=O)O

InChI

InChI=1S/C16H11BrN2O5S/c1-9-4-6-10(7-5-9)25(22,23)24-14-12-11(3-2-8-18-12)15(17)19-13(14)16(20)21/h2-8H,1H3,(H,20,21)