[2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate

Systemtic Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(4-methylphenyl)sulfonylpropanoate Openeye Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxo-ethyl] 3-(p-tolylsulfonyl)propanoate CAS Name: 3-(4-methylphenyl)sulfonylpropanoic acid [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] ester IUPAC Name: [2-[2-(4-fluorophenyl)ethylamino]-2-oxoethyl] 3-(4-methylphenyl)sulfonylpropanoate Traditional Name: 3-tosylpropionic acid [2-[2-(4-fluorophenyl)ethylamino]-2-keto-ethyl] ester Formula: C20H22FNO5S MolecularWeight: 407.455783

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCCC2=CC=C(C=C2)F

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)CCC(=O)OCC(=O)NCCC2=CC=C(C=C2)F

InChI

InChI=1S/C20H22FNO5S/c1-15-2-8-18(9-3-15)28(25,26)13-11-20(24)27-14-19(23)22-12-10-16-4-6-17(21)7-5-16/h2-9H,10-14H2,1H3,(H,22,23)