1-[3-fluoranyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]butan-1-one

Systemtic Name: 1-[3-fluoranyl-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]butan-1-one Openeye Name: 1-[3-fluoro-4-[4-(p-tolylsulfonyl)piperazin-1-yl]phenyl]butan-1-one CAS Name: 1-[3-fluoro-4-[4-(4-methylphenyl)sulfonyl-1-piperazinyl]phenyl]-1-butanone IUPAC Name: 1-[3-fluoro-4-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]phenyl]butan-1-one Traditional Name: 1-[3-fluoro-4-(4-tosylpiperazino)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=C1)N2CCN(CC2)S(=O)(=O)C3=CC=C(C=C3)C)F

Isomeric SMILES

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

InChI

InChI=1S/C21H25FN2O3S/c1-3-4-21(25)17-7-10-20(19(22)15-17)23-11-13-24(14-12-23)28(26,27)18-8-5-16(2)6-9-18/h5-10,15H,3-4,11-14H2,1-2H3