2-[4-(phenylsulfonylamino)phenyl]quinoline-4-carboxylic acid

Systemtic Name: 2-[4-(phenylsulfonylamino)phenyl]quinoline-4-carboxylic acid Openeye Name: 2-[4-(benzenesulfonamido)phenyl]quinoline-4-carboxylic acid CAS Name: 2-[4-(benzenesulfonamido)phenyl]-4-quinolinecarboxylic acid IUPAC Name: 2-[4-(benzenesulfonamido)phenyl]quinoline-4-carboxylic acid Traditional Name: 2-[4-(benzenesulfonamido)phenyl]cinchoninic acid Formula: C22H16N2O4S MolecularWeight: 404.43844

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

Isomeric SMILES

C1=CC=C(C=C1)S(=O)(=O)NC2=CC=C(C=C2)C3=NC4=CC=CC=C4C(=C3)C(=O)O

InChI

InChI=1S/C22H16N2O4S/c25-22(26)19-14-21(23-20-9-5-4-8-18(19)20)15-10-12-16(13-11-15)24-29(27,28)17-6-2-1-3-7-17/h1-14,24H,(H,25,26)