1-[3-fluoranyl-4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]butan-1-one

Systemtic Name: 1-[3-fluoranyl-4-[4-(phenylsulfonyl)piperazin-1-yl]phenyl]butan-1-one Openeye Name: 1-[4-[4-(benzenesulfonyl)piperazin-1-yl]-3-fluoro-phenyl]butan-1-one CAS Name: 1-[4-[4-(benzenesulfonyl)-1-piperazinyl]-3-fluorophenyl]-1-butanone IUPAC Name: 1-[4-[4-(benzenesulfonyl)piperazin-1-yl]-3-fluorophenyl]butan-1-one Traditional Name: 1-[4-(4-besylpiperazino)-3-fluoro-phenyl]butan-1-one Formula: C20H23FN2O3S MolecularWeight: 390.471623

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23FN2O3S/c1-2-6-20(24)16-9-10-19(18(21)15-16)22-11-13-23(14-12-22)27(25,26)17-7-4-3-5-8-17/h3-5,7-10,15H,2,6,11-14H2,1H3