1-[4-(2-bromanyl-4-fluoranyl-phenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine

Systemtic Name: 1-[4-(2-bromanyl-4-fluoranyl-phenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Openeye Name: 1-[4-(2-bromo-4-fluoro-phenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine CAS Name: 1-[4-(2-bromo-4-fluorophenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazine IUPAC Name: 1-[4-(2-bromo-4-fluorophenoxy)-3-nitrophenyl]sulfonyl-4-methylpiperazine Traditional Name: 1-[4-(2-bromo-4-fluoro-phenoxy)-3-nitro-phenyl]sulfonyl-4-methyl-piperazine Formula: C17H17BrFN3O5S MolecularWeight: 474.301383

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)F)Br)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)OC3=C(C=C(C=C3)F)Br)[N+](=O)[O-]

InChI

InChI=1S/C17H17BrFN3O5S/c1-20-6-8-21(9-7-20)28(25,26)13-3-5-17(15(11-13)22(23)24)27-16-4-2-12(19)10-14(16)18/h2-5,10-11H,6-9H2,1H3