2-(2-chloranyl-6-fluoranyl-phenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone

Systemtic Name: 2-(2-chloranyl-6-fluoranyl-phenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Openeye Name: 2-(2-chloro-6-fluoro-phenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone CAS Name: 2-(2-chloro-6-fluorophenyl)-1-[4-(3-nitrophenyl)sulfonyl-1-piperazinyl]ethanone IUPAC Name: 2-(2-chloro-6-fluorophenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazin-1-yl]ethanone Traditional Name: 2-(2-chloro-6-fluoro-phenyl)-1-[4-(3-nitrophenyl)sulfonylpiperazino]ethanone Formula: C18H17ClFN3O5S MolecularWeight: 441.861083

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C(=O)CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C(=O)CC2=C(C=CC=C2Cl)F)S(=O)(=O)C3=CC=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H17ClFN3O5S/c19-16-5-2-6-17(20)15(16)12-18(24)21-7-9-22(10-8-21)29(27,28)14-4-1-3-13(11-14)23(25)26/h1-6,11H,7-10,12H2