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

Systemtic Name: [2-(2,5-dimethylphenyl)-2-oxidanylidene-ethyl] 3-[(3-ethanoylphenyl)sulfonylamino]propanoate Openeye Name: [2-(2,5-dimethylphenyl)-2-oxo-ethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate CAS Name: 3-[(3-acetylphenyl)sulfonylamino]propanoic acid [2-(2,5-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(2,5-dimethylphenyl)-2-oxoethyl] 3-[(3-acetylphenyl)sulfonylamino]propanoate Traditional Name: 3-[(3-acetylphenyl)sulfonylamino]propionic acid [2-(2,5-dimethylphenyl)-2-keto-ethyl] ester Formula: C21H23NO6S MolecularWeight: 417.47542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)C(=O)COC(=O)CCNS(=O)(=O)C2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C21H23NO6S/c1-14-7-8-15(2)19(11-14)20(24)13-28-21(25)9-10-22-29(26,27)18-6-4-5-17(12-18)16(3)23/h4-8,11-12,22H,9-10,13H2,1-3H3