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

Systemtic Name: 3-(3,5-dimethoxyphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Openeye Name: 3-(3,5-dimethoxyphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one CAS Name: 3-(3,5-dimethoxyphenyl)-1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-1-propanone IUPAC Name: 3-(3,5-dimethoxyphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]propan-1-one Traditional Name: 3-(3,5-dimethoxyphenyl)-1-[4-(3-fluorophenyl)sulfonylpiperazino]propan-1-one Formula: C21H25FN2O5S MolecularWeight: 436.497003

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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