3-[[4-(4-cyanophenoxy)phenyl]carbonylamino]-2-[(4-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-[[4-(4-cyanophenoxy)phenyl]carbonylamino]-2-[(4-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-[[4-(4-cyanophenoxy)benzoyl]amino]-2-(p-tolylsulfonylamino)propanoic acid CAS Name: 3-[[[4-(4-cyanophenoxy)phenyl]-oxomethyl]amino]-2-[(4-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-[[4-(4-cyanophenoxy)benzoyl]amino]-2-[(4-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-[[4-(4-cyanophenoxy)benzoyl]amino]-2-(tosylamino)propionic acid Formula: C24H21N3O6S MolecularWeight: 479.50504

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C#N)C(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CNC(=O)C2=CC=C(C=C2)OC3=CC=C(C=C3)C#N)C(=O)O

InChI

InChI=1S/C24H21N3O6S/c1-16-2-12-21(13-3-16)34(31,32)27-22(24(29)30)15-26-23(28)18-6-10-20(11-7-18)33-19-8-4-17(14-25)5-9-19/h2-13,22,27H,15H2,1H3,(H,26,28)(H,29,30)