5-(methylamino)-2-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-pentanoic acid

Systemtic Name: 5-(methylamino)-2-[(4-methylphenyl)sulfonylamino]-5-oxidanylidene-pentanoic acid Openeye Name: 5-(methylamino)-5-oxo-2-(p-tolylsulfonylamino)pentanoic acid CAS Name: 5-(methylamino)-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acid IUPAC Name: 5-(methylamino)-2-[(4-methylphenyl)sulfonylamino]-5-oxopentanoic acid Traditional Name: 5-keto-5-(methylamino)-2-(tosylamino)valeric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c1-9-3-5-10(6-4-9)21(19,20)15-11(13(17)18)7-8-12(16)14-2/h3-6,11,15H,7-8H2,1-2H3,(H,14,16)(H,17,18)