(2-azanyl-2-oxidanylidene-ethyl) 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: (2-azanyl-2-oxidanylidene-ethyl) 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: (2-amino-2-oxo-ethyl) 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid (2-amino-2-oxoethyl) ester IUPAC Name: (2-amino-2-oxoethyl) 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid (2-amino-2-keto-ethyl) ester 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)NCCC(=O)OCC(=O)N

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCC(=O)N

InChI

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