1-[5-fluoranyl-2-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]propan-1-one

Systemtic Name: 1-[5-fluoranyl-2-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]propan-1-one Openeye Name: 1-[4-[4-(benzenesulfonyl)piperazin-1-yl]-5-fluoro-2-methyl-phenyl]propan-1-one CAS Name: 1-[4-[4-(benzenesulfonyl)-1-piperazinyl]-5-fluoro-2-methylphenyl]-1-propanone IUPAC Name: 1-[4-[4-(benzenesulfonyl)piperazin-1-yl]-5-fluoro-2-methylphenyl]propan-1-one Traditional Name: 1-[4-(4-besylpiperazino)-5-fluoro-2-methyl-phenyl]propan-1-one Formula: C20H23FN2O3S MolecularWeight: 390.471623

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Descriptors Computed from Structure

Canonical SMILES:

CCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F

Isomeric SMILES

CCC(=O)C1=CC(=C(C=C1C)N2CCN(CC2)S(=O)(=O)C3=CC=CC=C3)F

InChI

InChI=1S/C20H23FN2O3S/c1-3-20(24)17-14-18(21)19(13-15(17)2)22-9-11-23(12-10-22)27(25,26)16-7-5-4-6-8-16/h4-8,13-14H,3,9-12H2,1-2H3