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

Systemtic Name: 3-[4-[[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[5-(diethylsulfamoyl)-2,3-dimethylphenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[5-(diethylsulfamoyl)-2,3-dimethyl-phenyl]sulfamoyl]phenyl]propionic acid Formula: C21H28N2O6S2 MolecularWeight: 468.58682

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H28N2O6S2/c1-5-23(6-2)31(28,29)19-13-15(3)16(4)20(14-19)22-30(26,27)18-10-7-17(8-11-18)9-12-21(24)25/h7-8,10-11,13-14,22H,5-6,9,12H2,1-4H3,(H,24,25)