[4-(quinolin-8-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(quinolin-8-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(8-quinolylcarbamoyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[oxo-(8-quinolinylamino)methyl]phenyl] ester IUPAC Name: [4-(quinolin-8-ylcarbamoyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(8-quinolylcarbamoyl)phenyl] ester Formula: C22H15N3O6S MolecularWeight: 449.436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])N=CC=C2

Isomeric SMILES

C1=CC2=C(C(=C1)NC(=O)C3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC(=C4)[N+](=O)[O-])N=CC=C2

InChI

InChI=1S/C22H15N3O6S/c26-22(24-20-8-1-4-15-5-3-13-23-21(15)20)16-9-11-18(12-10-16)31-32(29,30)19-7-2-6-17(14-19)25(27)28/h1-14H,(H,24,26)