1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione

Systemtic Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione Openeye Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(p-tolyl)butane-1,4-dione CAS Name: 1-[4-(3-fluorophenyl)sulfonyl-1-piperazinyl]-4-(4-methylphenyl)butane-1,4-dione IUPAC Name: 1-[4-(3-fluorophenyl)sulfonylpiperazin-1-yl]-4-(4-methylphenyl)butane-1,4-dione Traditional Name: 1-[4-(3-fluorophenyl)sulfonylpiperazino]-4-(p-tolyl)butane-1,4-dione Formula: C21H23FN2O4S MolecularWeight: 418.481723

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CCC(=O)N2CCN(CC2)S(=O)(=O)C3=CC=CC(=C3)F

InChI

InChI=1S/C21H23FN2O4S/c1-16-5-7-17(8-6-16)20(25)9-10-21(26)23-11-13-24(14-12-23)29(27,28)19-4-2-3-18(22)15-19/h2-8,15H,9-14H2,1H3