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

Systemtic Name: 1-[5-fluoranyl-2-methyl-4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]butan-1-one Openeye Name: 1-[4-[4-(benzenesulfonyl)piperazin-1-yl]-5-fluoro-2-methyl-phenyl]butan-1-one CAS Name: 1-[4-[4-(benzenesulfonyl)-1-piperazinyl]-5-fluoro-2-methylphenyl]-1-butanone IUPAC Name: 1-[4-[4-(benzenesulfonyl)piperazin-1-yl]-5-fluoro-2-methylphenyl]butan-1-one Traditional Name: 1-[4-(4-besylpiperazino)-5-fluoro-2-methyl-phenyl]butan-1-one Formula: C21H25FN2O3S MolecularWeight: 404.498203

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O3S/c1-3-7-21(25)18-15-19(22)20(14-16(18)2)23-10-12-24(13-11-23)28(26,27)17-8-5-4-6-9-17/h4-6,8-9,14-15H,3,7,10-13H2,1-2H3