[(E)-2-[6-(methylsulfonylamino)-8-naphthalen-1-yl-quinolin-2-yl]ethenyl]phosphonic acid

Systemtic Name: [(E)-2-[6-(methylsulfonylamino)-8-naphthalen-1-yl-quinolin-2-yl]ethenyl]phosphonic acid Openeye Name: [(E)-2-[6-(methanesulfonamido)-8-(1-naphthyl)-2-quinolyl]vinyl]phosphonic acid CAS Name: [(E)-2-[6-(methanesulfonamido)-8-(1-naphthalenyl)-2-quinolinyl]ethenyl]phosphonic acid IUPAC Name: [(E)-2-[6-(methanesulfonamido)-8-naphthalen-1-ylquinolin-2-yl]ethenyl]phosphonic acid Traditional Name: [(E)-2-[6-(methanesulfonamido)-8-(1-naphthyl)-2-quinolyl]vinyl]phosphonic acid Formula: C22H19N2O5PS MolecularWeight: 454.435421

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC(=C2C(=C1)C=CC(=N2)C=CP(=O)(O)O)C3=CC=CC4=CC=CC=C43

Isomeric SMILES

CS(=O)(=O)NC1=CC(=C2C(=C1)C=CC(=N2)/C=C/P(=O)(O)O)C3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H19N2O5PS/c1-31(28,29)24-18-13-16-9-10-17(11-12-30(25,26)27)23-22(16)21(14-18)20-8-4-6-15-5-2-3-7-19(15)20/h2-14,24H,1H3,(H2,25,26,27)/b12-11+