2-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(3-fluoranyl-4-methoxy-phenyl)-1-[4-(phenylmethyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-fluoro-4-methoxy-phenyl)ethanone CAS Name: 2-(3-fluoro-4-methoxyphenyl)-1-[4-(phenylmethyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 1-(4-benzylsulfonylpiperazin-1-yl)-2-(3-fluoro-4-methoxyphenyl)ethanone Traditional Name: 1-(4-benzylsulfonylpiperazino)-2-(3-fluoro-4-methoxy-phenyl)ethanone Formula: C20H23FN2O4S MolecularWeight: 406.471023

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)F

Isomeric SMILES

COC1=C(C=C(C=C1)CC(=O)N2CCN(CC2)S(=O)(=O)CC3=CC=CC=C3)F

InChI

InChI=1S/C20H23FN2O4S/c1-27-19-8-7-17(13-18(19)21)14-20(24)22-9-11-23(12-10-22)28(25,26)15-16-5-3-2-4-6-16/h2-8,13H,9-12,14-15H2,1H3