3-[4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid

Systemtic Name: 3-[4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-(1-pyrrolidinylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-(pyrrolidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[2-(pyrrolidinomethyl)benzyl]sulfamoyl]phenyl]propionic acid Formula: C21H26N2O4S MolecularWeight: 402.50714

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1CCN(C1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C21H26N2O4S/c24-21(25)12-9-17-7-10-20(11-8-17)28(26,27)22-15-18-5-1-2-6-19(18)16-23-13-3-4-14-23/h1-2,5-8,10-11,22H,3-4,9,12-16H2,(H,24,25)