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

Systemtic Name: 3-[4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[5-(diethylsulfamoyl)-2-methylphenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[5-(diethylsulfamoyl)-2-methyl-phenyl]sulfamoyl]phenyl]propionic acid Formula: C20H26N2O6S2 MolecularWeight: 454.56024

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)C)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C20H26N2O6S2/c1-4-22(5-2)30(27,28)18-10-6-15(3)19(14-18)21-29(25,26)17-11-7-16(8-12-17)9-13-20(23)24/h6-8,10-12,14,21H,4-5,9,13H2,1-3H3,(H,23,24)