[4-(4-ethanoylpiperazin-1-yl)phenyl] 2-nitrobenzenesulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 2-nitrobenzenesulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2-nitrobenzenesulfonate CAS Name: 2-nitrobenzenesulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2-nitrobenzenesulfonate Traditional Name: 2-nitrobenzenesulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C18H19N3O6S MolecularWeight: 405.42496

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C18H19N3O6S/c1-14(22)19-10-12-20(13-11-19)15-6-8-16(9-7-15)27-28(25,26)18-5-3-2-4-17(18)21(23)24/h2-9H,10-13H2,1H3