3-[4-[[3-(methylsulfonylamino)phenyl]methylamino]phenyl]propanoic acid

Systemtic Name: 3-[4-[[3-(methylsulfonylamino)phenyl]methylamino]phenyl]propanoic acid Openeye Name: 3-[4-[[3-(methanesulfonamido)phenyl]methylamino]phenyl]propanoic acid CAS Name: 3-[4-[[3-(methanesulfonamido)phenyl]methylamino]phenyl]propanoic acid IUPAC Name: 3-[4-[[3-(methanesulfonamido)phenyl]methylamino]phenyl]propanoic acid Traditional Name: 3-[4-[[3-(methanesulfonamido)benzyl]amino]phenyl]propionic acid Formula: C17H20N2O4S MolecularWeight: 348.4167

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)NC1=CC=CC(=C1)CNC2=CC=C(C=C2)CCC(=O)O

Isomeric SMILES

CS(=O)(=O)NC1=CC=CC(=C1)CNC2=CC=C(C=C2)CCC(=O)O

InChI

InChI=1S/C17H20N2O4S/c1-24(22,23)19-16-4-2-3-14(11-16)12-18-15-8-5-13(6-9-15)7-10-17(20)21/h2-6,8-9,11,18-19H,7,10,12H2,1H3,(H,20,21)