3-[(4-methylphenyl)sulfonylamino]-5-methylsulfanyl-pentanoic acid

Systemtic Name: 3-[(4-methylphenyl)sulfonylamino]-5-methylsulfanyl-pentanoic acid Openeye Name: 5-methylsulfanyl-3-(p-tolylsulfonylamino)pentanoic acid CAS Name: 3-[(4-methylphenyl)sulfonylamino]-5-(methylthio)pentanoic acid IUPAC Name: 3-[(4-methylphenyl)sulfonylamino]-5-methylsulfanylpentanoic acid Traditional Name: 5-(methylthio)-3-(tosylamino)valeric acid Formula: C13H19NO4S2 MolecularWeight: 317.42426

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)CC(=O)O

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)NC(CCSC)CC(=O)O

InChI

InChI=1S/C13H19NO4S2/c1-10-3-5-12(6-4-10)20(17,18)14-11(7-8-19-2)9-13(15)16/h3-6,11,14H,7-9H2,1-2H3,(H,15,16)