3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-N,N-diethyl-4-fluoranyl-benzenesulfonamide

Systemtic Name: 3-[4-(4-chloranyl-2-nitro-phenyl)piperazin-1-yl]carbonyl-N,N-diethyl-4-fluoranyl-benzenesulfonamide Openeye Name: 3-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]-N,N-diethyl-4-fluoro-benzenesulfonamide CAS Name: 3-[[4-(4-chloro-2-nitrophenyl)-1-piperazinyl]-oxomethyl]-N,N-diethyl-4-fluorobenzenesulfonamide IUPAC Name: 3-[4-(4-chloro-2-nitrophenyl)piperazine-1-carbonyl]-N,N-diethyl-4-fluorobenzenesulfonamide Traditional Name: 3-[4-(4-chloro-2-nitro-phenyl)piperazine-1-carbonyl]-N,N-diethyl-4-fluoro-benzenesulfonamide Formula: C21H24ClFN4O5S MolecularWeight: 498.955463

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)F)C(=O)N2CCN(CC2)C3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H24ClFN4O5S/c1-3-26(4-2)33(31,32)16-6-7-18(23)17(14-16)21(28)25-11-9-24(10-12-25)19-8-5-15(22)13-20(19)27(29)30/h5-8,13-14H,3-4,9-12H2,1-2H3