1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(4-fluoranylphenoxy)butan-1-one

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(4-fluoranylphenoxy)butan-1-one Openeye Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenoxy)butan-1-one CAS Name: 1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-4-(4-fluorophenoxy)-1-butanone IUPAC Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-4-(4-fluorophenoxy)butan-1-one Traditional Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-4-(4-fluorophenoxy)butan-1-one Formula: C22H27FN2O6S MolecularWeight: 466.522983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCCOC3=CC=C(C=C3)F)OC

InChI

InChI=1S/C22H27FN2O6S/c1-29-20-10-9-19(16-21(20)30-2)32(27,28)25-13-11-24(12-14-25)22(26)4-3-15-31-18-7-5-17(23)6-8-18/h5-10,16H,3-4,11-15H2,1-2H3