[2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylpropanoate

Systemtic Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxidanylidene-ethyl] 2-methylpropanoate Openeye Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxo-ethyl] 2-methylpropanoate CAS Name: 2-methylpropanoic acid [2-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-oxoethyl] 2-methylpropanoate Traditional Name: 2-methylpropionic acid [2-[4-(3-fluorophenyl)sulfonylpiperazino]-2-keto-ethyl] ester Formula: C16H21FN2O5S MolecularWeight: 372.411743

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F

Isomeric SMILES

CC(C)C(=O)OCC(=O)N1CCN(CC1)S(=O)(=O)C2=CC=CC(=C2)F

InChI

InChI=1S/C16H21FN2O5S/c1-12(2)16(21)24-11-15(20)18-6-8-19(9-7-18)25(22,23)14-5-3-4-13(17)10-14/h3-5,10,12H,6-9,11H2,1-2H3