1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-(3-fluoranyl-4-methoxy-phenyl)propan-1-one

Systemtic Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-(3-fluoranyl-4-methoxy-phenyl)propan-1-one Openeye Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-(3-fluoro-4-methoxy-phenyl)propan-1-one CAS Name: 1-[4-(3,4-dimethoxyphenyl)sulfonyl-1-piperazinyl]-3-(3-fluoro-4-methoxyphenyl)-1-propanone IUPAC Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazin-1-yl]-3-(3-fluoro-4-methoxyphenyl)propan-1-one Traditional Name: 1-[4-(3,4-dimethoxyphenyl)sulfonylpiperazino]-3-(3-fluoro-4-methoxy-phenyl)propan-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)CCC3=CC(=C(C=C3)OC)F)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)N2CCN(CC2)C(=O)CCC3=CC(=C(C=C3)OC)F)OC

InChI

InChI=1S/C22H27FN2O6S/c1-29-19-7-4-16(14-18(19)23)5-9-22(26)24-10-12-25(13-11-24)32(27,28)17-6-8-20(30-2)21(15-17)31-3/h4,6-8,14-15H,5,9-13H2,1-3H3