[4-(4-ethanoylpiperazin-1-yl)carbonylphenyl] 3-nitrobenzenesulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)carbonylphenyl] 3-nitrobenzenesulfonate Openeye Name: [4-(4-acetylpiperazine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate CAS Name: 3-nitrobenzenesulfonic acid [4-[(4-acetyl-1-piperazinyl)-oxomethyl]phenyl] ester IUPAC Name: [4-(4-acetylpiperazine-1-carbonyl)phenyl] 3-nitrobenzenesulfonate Traditional Name: 3-nitrobenzenesulfonic acid [4-(4-acetylpiperazine-1-carbonyl)phenyl] ester Formula: C19H19N3O7S MolecularWeight: 433.43506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H19N3O7S/c1-14(23)20-9-11-21(12-10-20)19(24)15-5-7-17(8-6-15)29-30(27,28)18-4-2-3-16(13-18)22(25)26/h2-8,13H,9-12H2,1H3