phenacyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate

Systemtic Name: phenacyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Openeye Name: phenacyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate CAS Name: 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoic acid phenacyl ester IUPAC Name: phenacyl 3-[(2,4,6-trimethylphenyl)sulfonylamino]propanoate Traditional Name: 3-(mesitylsulfonylamino)propionic acid phenacyl ester Formula: C20H23NO5S MolecularWeight: 389.46532

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)C2=CC=CC=C2)C

Isomeric SMILES

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

InChI

InChI=1S/C20H23NO5S/c1-14-11-15(2)20(16(3)12-14)27(24,25)21-10-9-19(23)26-13-18(22)17-7-5-4-6-8-17/h4-8,11-12,21H,9-10,13H2,1-3H3