1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one

Systemtic Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Openeye Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one CAS Name: 1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-3-(3,4,5-trimethoxyphenyl)-1-propanone IUPAC Name: 1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]-3-(3,4,5-trimethoxyphenyl)propan-1-one Traditional Name: 1-[4-(4-fluorophenyl)sulfonylpiperazino]-3-(3,4,5-trimethoxyphenyl)propan-1-one Formula: C22H27FN2O6S MolecularWeight: 466.522983

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

COC1=CC(=CC(=C1OC)OC)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)F

InChI

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