3-(1H-imidazol-5-yl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid

Systemtic Name: 3-(1H-imidazol-5-yl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid Openeye Name: 3-(1H-imidazol-5-yl)-2-(o-tolylsulfonylamino)propanoic acid CAS Name: 3-(1H-imidazol-5-yl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid IUPAC Name: 3-(1H-imidazol-5-yl)-2-[(2-methylphenyl)sulfonylamino]propanoic acid Traditional Name: 3-(1H-imidazol-5-yl)-2-(o-tolylsulfonylamino)propionic acid Formula: C13H15N3O4S MolecularWeight: 309.3409

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1S(=O)(=O)NC(CC2=CN=CN2)C(=O)O

Isomeric SMILES

CC1=CC=CC=C1S(=O)(=O)NC(CC2=CN=CN2)C(=O)O

InChI

InChI=1S/C13H15N3O4S/c1-9-4-2-3-5-12(9)21(19,20)16-11(13(17)18)6-10-7-14-8-15-10/h2-5,7-8,11,16H,6H2,1H3,(H,14,15)(H,17,18)