4-azanyl-4-oxidanylidene-3-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid

Systemtic Name: 4-azanyl-4-oxidanylidene-3-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid Openeye Name: 4-amino-4-oxo-3-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid CAS Name: 4-amino-4-oxo-3-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid IUPAC Name: 4-amino-4-oxo-3-[(2,4,6-trimethylphenyl)sulfonylamino]butanoic acid Traditional Name: 4-amino-4-keto-3-(mesitylsulfonylamino)butyric acid Formula: C13H18N2O5S MolecularWeight: 314.35742

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N2O5S/c1-7-4-8(2)12(9(3)5-7)21(19,20)15-10(13(14)18)6-11(16)17/h4-5,10,15H,6H2,1-3H3,(H2,14,18)(H,16,17)