5-[[(Z)-(10-methylacridin-10-ium-9-yl)methylideneamino]sulfamoyl]-2-oxidanyl-benzoic acid; methyl sulfate

Systemtic Name: 5-[[(Z)-(10-methylacridin-10-ium-9-yl)methylideneamino]sulfamoyl]-2-oxidanyl-benzoic acid; methyl sulfate Openeye Name: 2-hydroxy-5-[[(Z)-(10-methylacridin-10-ium-9-yl)methyleneamino]sulfamoyl]benzoic acid; methyl sulfate CAS Name: 2-hydroxy-5-[[(Z)-(10-methyl-9-acridin-10-iumyl)methylideneamino]sulfamoyl]benzoic acid; methyl sulfate IUPAC Name: 2-hydroxy-5-[[(Z)-(10-methylacridin-10-ium-9-yl)methylideneamino]sulfamoyl]benzoic acid; methyl sulfate Traditional Name: 2-hydroxy-5-[[(Z)-(10-methylacridin-10-ium-9-yl)methyleneamino]sulfamoyl]benzoic acid; methyl sulfate Formula: C23H21N3O9S2 MolecularWeight: 547.55754

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)C=NNS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O.COS(=O)(=O)[O-]

Isomeric SMILES

C[N+]1=C2C=CC=CC2=C(C3=CC=CC=C31)/C=N\NS(=O)(=O)C4=CC(=C(C=C4)O)C(=O)O.COS(=O)(=O)[O-]

InChI

InChI=1S/C22H17N3O5S.CH4O4S/c1-25-19-8-4-2-6-15(19)18(16-7-3-5-9-20(16)25)13-23-24-31(29,30)14-10-11-21(26)17(12-14)22(27)28;1-5-6(2,3)4/h2-13H,1H3,(H2,26,27,28);1H3,(H,2,3,4)