5-[[(1-ethyl-4-phenyl-quinolin-1-ium-2-yl)amino]sulfamoyl]-2-oxidanyl-benzoic acid

Systemtic Name: 5-[[(1-ethyl-4-phenyl-quinolin-1-ium-2-yl)amino]sulfamoyl]-2-oxidanyl-benzoic acid Openeye Name: 5-[[(1-ethyl-4-phenyl-quinolin-1-ium-2-yl)amino]sulfamoyl]-2-hydroxy-benzoic acid CAS Name: 5-[[(1-ethyl-4-phenyl-2-quinolin-1-iumyl)amino]sulfamoyl]-2-hydroxybenzoic acid IUPAC Name: 5-[[(1-ethyl-4-phenylquinolin-1-ium-2-yl)amino]sulfamoyl]-2-hydroxybenzoic acid Traditional Name: 5-[[(1-ethyl-4-phenyl-quinolin-1-ium-2-yl)amino]sulfamoyl]-2-hydroxy-benzoic acid Formula: C24H22N3O5S+ MolecularWeight: 464.51358

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Descriptors Computed from Structure

Canonical SMILES:

CC[N+]1=C(C=C(C2=CC=CC=C21)C3=CC=CC=C3)NNS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O

Isomeric SMILES

CC[N+]1=C(C=C(C2=CC=CC=C21)C3=CC=CC=C3)NNS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O

InChI

InChI=1S/C24H21N3O5S/c1-2-27-21-11-7-6-10-18(21)19(16-8-4-3-5-9-16)15-23(27)25-26-33(31,32)17-12-13-22(28)20(14-17)24(29)30/h3-15,26H,2H2,1H3,(H2,28,29,30)/p+1