[2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate

Systemtic Name: [2-(4-ethoxyphenyl)-2-oxidanylidene-ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-ethoxyphenyl)-2-oxo-ethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propanoic acid [2-(4-ethoxyphenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-ethoxyphenyl)-2-oxoethyl] 3-[(3,4-dimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3,4-dimethylphenyl)sulfonylamino]propionic acid (2-keto-2-p-phenetyl-ethyl) ester Formula: C21H25NO6S MolecularWeight: 419.4913

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)C(=O)COC(=O)CCNS(=O)(=O)C2=CC(=C(C=C2)C)C

InChI

InChI=1S/C21H25NO6S/c1-4-27-18-8-6-17(7-9-18)20(23)14-28-21(24)11-12-22-29(25,26)19-10-5-15(2)16(3)13-19/h5-10,13,22H,4,11-12,14H2,1-3H3