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

Systemtic Name: 4-[4-(4-chloranyl-2-fluoranyl-phenyl)carbonylpiperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(4-chloro-2-fluoro-benzoyl)piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(4-chloro-2-fluorophenyl)-oxomethyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(4-chloro-2-fluorobenzoyl)piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(4-chloro-2-fluoro-benzoyl)piperazino]-N,N-diethyl-3-nitro-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)N2CCN(CC2)C(=O)C3=C(C=C(C=C3)Cl)F)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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