3-[4-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-(diethylaminomethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[2-(diethylaminomethyl)benzyl]sulfamoyl]phenyl]propionic acid Formula: C21H28N2O4S MolecularWeight: 404.52302

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CC1=CC=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CCN(CC)CC1=CC=CC=C1CNS(=O)(=O)C2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C21H28N2O4S/c1-3-23(4-2)16-19-8-6-5-7-18(19)15-22-28(26,27)20-12-9-17(10-13-20)11-14-21(24)25/h5-10,12-13,22H,3-4,11,14-16H2,1-2H3,(H,24,25)