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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

Isomeric SMILES

CCOC1=CC=C(C=C1)OCCCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3F

InChI

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