ethyl 4-(3-fluoranyl-2-nitro-phenyl)sulfonylpiperazine-1-carboxylate

Systemtic Name: ethyl 4-(3-fluoranyl-2-nitro-phenyl)sulfonylpiperazine-1-carboxylate Openeye Name: ethyl 4-(3-fluoro-2-nitro-phenyl)sulfonylpiperazine-1-carboxylate CAS Name: 4-(3-fluoro-2-nitrophenyl)sulfonyl-1-piperazinecarboxylic acid ethyl ester IUPAC Name: ethyl 4-(3-fluoro-2-nitrophenyl)sulfonylpiperazine-1-carboxylate Traditional Name: 4-(3-fluoro-2-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=CC(=C2[N+](=O)[O-])F

Isomeric SMILES

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

InChI

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