[1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate

Systemtic Name: [1-(4-ethylphenyl)-1-oxidanylidene-propan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Openeye Name: [2-(4-ethylphenyl)-1-methyl-2-oxo-ethyl] 3-(p-tolylsulfonylamino)propanoate CAS Name: 3-[(4-methylphenyl)sulfonylamino]propanoic acid [1-(4-ethylphenyl)-1-oxopropan-2-yl] ester IUPAC Name: [1-(4-ethylphenyl)-1-oxopropan-2-yl] 3-[(4-methylphenyl)sulfonylamino]propanoate Traditional Name: 3-(tosylamino)propionic acid [2-(4-ethylphenyl)-2-keto-1-methyl-ethyl] ester Formula: C21H25NO5S MolecularWeight: 403.4919

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)C(C)OC(=O)CCNS(=O)(=O)C2=CC=C(C=C2)C

InChI

InChI=1S/C21H25NO5S/c1-4-17-7-9-18(10-8-17)21(24)16(3)27-20(23)13-14-22-28(25,26)19-11-5-15(2)6-12-19/h5-12,16,22H,4,13-14H2,1-3H3