4-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]benzoate

Systemtic Name: 4-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]benzoate Openeye Name: 4-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]benzoate CAS Name: 4-[[2-(propylamino)-5-sulfamoylphenyl]sulfamoyl]benzoate IUPAC Name: 4-[[2-(propylamino)-5-sulfamoylphenyl]sulfamoyl]benzoate Traditional Name: 4-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]benzoate Formula: C16H18N3O6S2- MolecularWeight: 412.46062

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C16H19N3O6S2/c1-2-9-18-14-8-7-13(26(17,22)23)10-15(14)19-27(24,25)12-5-3-11(4-6-12)16(20)21/h3-8,10,18-19H,2,9H2,1H3,(H,20,21)(H2,17,22,23)/p-1