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

Systemtic Name: 3-[4-[[5-(diethylsulfamoyl)-2-ethoxy-phenyl]sulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[5-(diethylsulfamoyl)-2-ethoxy-phenyl]sulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]sulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[5-(diethylsulfamoyl)-2-ethoxyphenyl]sulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[5-(diethylsulfamoyl)-2-ethoxy-phenyl]sulfamoyl]phenyl]propionic acid Formula: C21H28N2O7S2 MolecularWeight: 484.58622

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H28N2O7S2/c1-4-23(5-2)32(28,29)18-12-13-20(30-6-3)19(15-18)22-31(26,27)17-10-7-16(8-11-17)9-14-21(24)25/h7-8,10-13,15,22H,4-6,9,14H2,1-3H3,(H,24,25)