3-[[4-[(N-butyl-C-oxidanidyl-carbonimidoyl)sulfamoyl]phenyl]sulfamoyl]benzoate

Systemtic Name: 3-[[4-[(N-butyl-C-oxidanidyl-carbonimidoyl)sulfamoyl]phenyl]sulfamoyl]benzoate Openeye Name: 3-[[4-[(N-butyl-C-oxido-carbonimidoyl)sulfamoyl]phenyl]sulfamoyl]benzoate CAS Name: 3-[[4-[[butylimino(oxido)methyl]sulfamoyl]phenyl]sulfamoyl]benzoate IUPAC Name: 3-[[4-[(N-butyl-C-oxidocarbonimidoyl)sulfamoyl]phenyl]sulfamoyl]benzoate Traditional Name: 3-[[4-[(N-butyl-C-oxido-carbonimidoyl)sulfamoyl]phenyl]sulfamoyl]benzoate Formula: C18H19N3O7S2-2 MolecularWeight: 453.48936

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])[O-]

Isomeric SMILES

CCCCN=C(NS(=O)(=O)C1=CC=C(C=C1)NS(=O)(=O)C2=CC=CC(=C2)C(=O)[O-])[O-]

InChI

InChI=1S/C18H21N3O7S2/c1-2-3-11-19-18(24)21-29(25,26)15-9-7-14(8-10-15)20-30(27,28)16-6-4-5-13(12-16)17(22)23/h4-10,12,20H,2-3,11H2,1H3,(H,22,23)(H2,19,21,24)/p-2