4-(2-ethoxyphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(2-ethoxyphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(2-ethoxyphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(2-ethoxyphenoxy)-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(2-ethoxyphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(2-ethoxyphenoxy)-1-[4-(4-fluorophenyl)sulfonylpiperazino]butan-1-one Formula: C22H27FN2O5S MolecularWeight: 450.523583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

CCOC1=CC=CC=C1OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C22H27FN2O5S/c1-2-29-20-6-3-4-7-21(20)30-17-5-8-22(26)24-13-15-25(16-14-24)31(27,28)19-11-9-18(23)10-12-19/h3-4,6-7,9-12H,2,5,8,13-17H2,1H3