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

Systemtic Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3,4-dimethoxyphenyl)-1-[4-(4-fluorophenyl)sulfonylpiperazino]propan-1-one Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O5S/c1-28-19-9-3-16(15-20(19)29-2)4-10-21(25)23-11-13-24(14-12-23)30(26,27)18-7-5-17(22)6-8-18/h3,5-9,15H,4,10-14H2,1-2H3