[4-(4-ethanoylpiperazin-1-yl)phenyl] 2-methoxy-4-nitro-benzenesulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 2-methoxy-4-nitro-benzenesulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2-methoxy-4-nitro-benzenesulfonate CAS Name: 2-methoxy-4-nitrobenzenesulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2-methoxy-4-nitrobenzenesulfonate Traditional Name: 2-methoxy-4-nitro-benzenesulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C19H21N3O7S MolecularWeight: 435.45094

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O7S/c1-14(23)20-9-11-21(12-10-20)15-3-6-17(7-4-15)29-30(26,27)19-8-5-16(22(24)25)13-18(19)28-2/h3-8,13H,9-12H2,1-2H3