1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone

Systemtic Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Openeye Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone CAS Name: 1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-2-(3,4,5-trimethoxyphenyl)ethanone IUPAC Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-2-(3,4,5-trimethoxyphenyl)ethanone Traditional Name: 1-[4-(3-fluorophenyl)sulfonylpiperazino]-2-(3,4,5-trimethoxyphenyl)ethanone Formula: C21H25FN2O6S MolecularWeight: 452.496403

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O6S/c1-28-18-11-15(12-19(29-2)21(18)30-3)13-20(25)23-7-9-24(10-8-23)31(26,27)17-6-4-5-16(22)14-17/h4-6,11-12,14H,7-10,13H2,1-3H3