3-[4-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-(propylamino)-5-sulfamoylphenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-(propylamino)-5-sulfamoylphenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[2-(propylamino)-5-sulfamoyl-phenyl]sulfamoyl]phenyl]propionic acid Formula: C18H23N3O6S2 MolecularWeight: 441.52172

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CCCNC1=C(C=C(C=C1)S(=O)(=O)N)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C18H23N3O6S2/c1-2-11-20-16-9-8-15(28(19,24)25)12-17(16)21-29(26,27)14-6-3-13(4-7-14)5-10-18(22)23/h3-4,6-9,12,20-21H,2,5,10-11H2,1H3,(H,22,23)(H2,19,24,25)