ethyl 4-(4-fluoranyl-3-nitro-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(4-fluoranyl-3-nitro-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(4-fluoro-3-nitro-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(4-fluoro-3-nitrophenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(4-fluoro-3-nitrophenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(4-fluoro-3-nitro-phenyl)sulfonylpiperazine-1-carboxylic acid ethyl ester Formula: C13H16FN3O6S MolecularWeight: 361.346043

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)N1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)F)[N+](=O)[O-]

InChI

InChI=1S/C13H16FN3O6S/c1-2-23-13(18)15-5-7-16(8-6-15)24(21,22)10-3-4-11(14)12(9-10)17(19)20/h3-4,9H,2,5-8H2,1H3