4-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide

Systemtic Name: 4-[4-(4-ethanoyl-2-fluoranyl-phenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide Openeye Name: 4-[4-(4-acetyl-2-fluoro-phenyl)piperazin-1-yl]-3-nitro-benzenesulfonamide CAS Name: 4-[4-(4-acetyl-2-fluorophenyl)-1-piperazinyl]-3-nitrobenzenesulfonamide IUPAC Name: 4-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-3-nitrobenzenesulfonamide Traditional Name: 4-[4-(4-acetyl-2-fluoro-phenyl)piperazino]-3-nitro-benzenesulfonamide Formula: C18H19FN4O5S MolecularWeight: 422.430663

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H19FN4O5S/c1-12(24)13-2-4-16(15(19)10-13)21-6-8-22(9-7-21)17-5-3-14(29(20,27)28)11-18(17)23(25)26/h2-5,10-11H,6-9H2,1H3,(H2,20,27,28)