1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]pyrrolidine-2,5-dione

Systemtic Name: 1-(3-chloranyl-4-fluoranyl-phenyl)-3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]pyrrolidine-2,5-dione Openeye Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]pyrrolidine-2,5-dione CAS Name: 1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylsulfonylphenyl)-1-piperazinyl]pyrrolidine-2,5-dione IUPAC Name: 1-(3-chloro-4-fluorophenyl)-3-[4-(4-methylsulfonylphenyl)piperazin-1-yl]pyrrolidine-2,5-dione Traditional Name: 1-(3-chloro-4-fluoro-phenyl)-3-[4-(4-mesylphenyl)piperazino]pyrrolidine-2,5-quinone Formula: C21H21ClFN3O4S MolecularWeight: 465.925543

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Descriptors Computed from Structure

Canonical SMILES:

CS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl

Isomeric SMILES

CS(=O)(=O)C1=CC=C(C=C1)N2CCN(CC2)C3CC(=O)N(C3=O)C4=CC(=C(C=C4)F)Cl

InChI

InChI=1S/C21H21ClFN3O4S/c1-31(29,30)16-5-2-14(3-6-16)24-8-10-25(11-9-24)19-13-20(27)26(21(19)28)15-4-7-18(23)17(22)12-15/h2-7,12,19H,8-11,13H2,1H3