[2-[(3-oxidanylnaphthalen-2-yl)carbonylamino]phenyl] 3-bromanylbenzenesulfonate

Systemtic Name: [2-[(3-oxidanylnaphthalen-2-yl)carbonylamino]phenyl] 3-bromanylbenzenesulfonate Openeye Name: [2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl] 3-bromobenzenesulfonate CAS Name: 3-bromobenzenesulfonic acid [2-[[(3-hydroxy-2-naphthalenyl)-oxomethyl]amino]phenyl] ester IUPAC Name: [2-[(3-hydroxynaphthalene-2-carbonyl)amino]phenyl] 3-bromobenzenesulfonate Traditional Name: 3-bromobenzenesulfonic acid [2-[(3-hydroxy-2-naphthoyl)amino]phenyl] ester Formula: C23H16BrNO5S MolecularWeight: 498.34584

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=CC=C3OS(=O)(=O)C4=CC(=CC=C4)Br)O

Isomeric SMILES

C1=CC=C2C=C(C(=CC2=C1)C(=O)NC3=CC=CC=C3OS(=O)(=O)C4=CC(=CC=C4)Br)O

InChI

InChI=1S/C23H16BrNO5S/c24-17-8-5-9-18(14-17)31(28,29)30-22-11-4-3-10-20(22)25-23(27)19-12-15-6-1-2-7-16(15)13-21(19)26/h1-14,26H,(H,25,27)