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3-[4-[[3-(diethylsulfamoyl)-4-ethoxy-phenyl]sulfamoyl]phenyl]propanoic acid
3-[4-[[3-(diethylsulfamoyl)-4-ethoxy-phenyl]sulfamoyl]phenyl]propanoic acid
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Descriptors Computed from Structure
Canonical SMILES:
CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)OCC
Isomeric SMILES
CCN(CC)S(=O)(=O)C1=C(C=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O)OCC
InChI
InChI=1S/C21H28N2O7S2/c1-4-23(5-2)32(28,29)20-15-17(10-13-19(20)30-6-3)22-31(26,27)18-11-7-16(8-12-18)9-14-21(24)25/h7-8,10-13,15,22H,4-6,9,14H2,1-3H3,(H,24,25)
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