[4-(4-ethanoylpiperazin-1-yl)phenyl] 3-bromanylbenzenesulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 3-bromanylbenzenesulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-bromobenzenesulfonate CAS Name: 3-bromobenzenesulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-bromobenzenesulfonate Traditional Name: 3-bromobenzenesulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C18H19BrN2O4S MolecularWeight: 439.32346

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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)Br

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC(=CC=C3)Br

InChI

InChI=1S/C18H19BrN2O4S/c1-14(22)20-9-11-21(12-10-20)16-5-7-17(8-6-16)25-26(23,24)18-4-2-3-15(19)13-18/h2-8,13H,9-12H2,1H3