4-(2-ethoxyphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one

Systemtic Name: 4-(2-ethoxyphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one Openeye Name: 4-(2-ethoxyphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one CAS Name: 4-(2-ethoxyphenoxy)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-1-butanone IUPAC Name: 4-(2-ethoxyphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]butan-1-one Traditional Name: 4-(2-ethoxyphenoxy)-1-[4-(3-fluorophenyl)sulfonylpiperazino]butan-1-one Formula: C22H27FN2O5S MolecularWeight: 450.523583

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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