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

Systemtic Name: (2-benzamido-2-oxidanylidene-ethyl) 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Openeye Name: (2-benzamido-2-oxo-ethyl) 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propanoic acid (2-benzamido-2-oxoethyl) ester IUPAC Name: (2-benzamido-2-oxoethyl) 3-[(2,5-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(2,5-dimethylphenyl)sulfonylamino]propionic acid (2-benzamido-2-keto-ethyl) ester Formula: C20H22N2O6S MolecularWeight: 418.46348

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)NC(=O)C2=CC=CC=C2

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NCCC(=O)OCC(=O)NC(=O)C2=CC=CC=C2

InChI

InChI=1S/C20H22N2O6S/c1-14-8-9-15(2)17(12-14)29(26,27)21-11-10-19(24)28-13-18(23)22-20(25)16-6-4-3-5-7-16/h3-9,12,21H,10-11,13H2,1-2H3,(H,22,23,25)