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

Systemtic Name: 3-[4-[[2-(piperidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid Openeye Name: 3-[4-[[2-(1-piperidylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid CAS Name: 3-[4-[[2-(1-piperidinylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid IUPAC Name: 3-[4-[[2-(piperidin-1-ylmethyl)phenyl]methylsulfamoyl]phenyl]propanoic acid Traditional Name: 3-[4-[[2-(piperidinomethyl)benzyl]sulfamoyl]phenyl]propionic acid Formula: C22H28N2O4S MolecularWeight: 416.53372

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

Isomeric SMILES

C1CCN(CC1)CC2=CC=CC=C2CNS(=O)(=O)C3=CC=C(C=C3)CCC(=O)O

InChI

InChI=1S/C22H28N2O4S/c25-22(26)13-10-18-8-11-21(12-9-18)29(27,28)23-16-19-6-2-3-7-20(19)17-24-14-4-1-5-15-24/h2-3,6-9,11-12,23H,1,4-5,10,13-17H2,(H,25,26)