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

Systemtic Name: 4-[4-[(2-chloranyl-4-fluoranyl-phenyl)methyl]piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide Openeye Name: 4-[4-[(2-chloro-4-fluoro-phenyl)methyl]piperazin-1-yl]-N,N-diethyl-3-nitro-benzenesulfonamide CAS Name: 4-[4-[(2-chloro-4-fluorophenyl)methyl]-1-piperazinyl]-N,N-diethyl-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-[(2-chloro-4-fluorophenyl)methyl]piperazin-1-yl]-N,N-diethyl-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(2-chloro-4-fluoro-benzyl)piperazino]-N,N-diethyl-3-nitro-benzenesulfonamide Formula: C21H26ClFN4O4S MolecularWeight: 484.971943

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)S(=O)(=O)C1=CC(=C(C=C1)N2CCN(CC2)CC3=C(C=C(C=C3)F)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H26ClFN4O4S/c1-3-26(4-2)32(30,31)18-7-8-20(21(14-18)27(28)29)25-11-9-24(10-12-25)15-16-5-6-17(23)13-19(16)22/h5-8,13-14H,3-4,9-12,15H2,1-2H3