1-(2-ethoxyphenyl)-4-(4-fluoranyl-3-nitro-phenyl)sulfonyl-piperazine

Systemtic Name: 1-(2-ethoxyphenyl)-4-(4-fluoranyl-3-nitro-phenyl)sulfonyl-piperazine Openeye Name: 1-(2-ethoxyphenyl)-4-(4-fluoro-3-nitro-phenyl)sulfonyl-piperazine CAS Name: 1-(2-ethoxyphenyl)-4-(4-fluoro-3-nitrophenyl)sulfonylpiperazine IUPAC Name: 1-(2-ethoxyphenyl)-4-(4-fluoro-3-nitrophenyl)sulfonylpiperazine Traditional Name: 1-(4-fluoro-3-nitro-phenyl)sulfonyl-4-o-phenetyl-piperazine Formula: C18H20FN3O5S MolecularWeight: 409.431903

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=CC=C1N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)F)[N+](=O)[O-]

InChI

InChI=1S/C18H20FN3O5S/c1-2-27-18-6-4-3-5-16(18)20-9-11-21(12-10-20)28(25,26)14-7-8-15(19)17(13-14)22(23)24/h3-8,13H,2,9-12H2,1H3