ethyl 3-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]propanoate

Systemtic Name: ethyl 3-[(4-bromanyl-2-ethyl-phenyl)sulfonylamino]propanoate Openeye Name: ethyl 3-[(4-bromo-2-ethyl-phenyl)sulfonylamino]propanoate CAS Name: 3-[(4-bromo-2-ethylphenyl)sulfonylamino]propanoic acid ethyl ester IUPAC Name: ethyl 3-[(4-bromo-2-ethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(4-bromo-2-ethyl-phenyl)sulfonylamino]propionic acid ethyl ester Formula: C13H18BrNO4S MolecularWeight: 364.25532

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NCCC(=O)OCC

Isomeric SMILES

CCC1=C(C=CC(=C1)Br)S(=O)(=O)NCCC(=O)OCC

InChI

InChI=1S/C13H18BrNO4S/c1-3-10-9-11(14)5-6-12(10)20(17,18)15-8-7-13(16)19-4-2/h5-6,9,15H,3-4,7-8H2,1-2H3