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

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 3-cyanobenzenesulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-cyanobenzenesulfonate CAS Name: 3-cyanobenzenesulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 3-cyanobenzenesulfonate Traditional Name: 3-cyanobenzenesulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C19H19N3O4S MolecularWeight: 385.43686

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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)C#N

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C19H19N3O4S/c1-15(23)21-9-11-22(12-10-21)17-5-7-18(8-6-17)26-27(24,25)19-4-2-3-16(13-19)14-20/h2-8,13H,9-12H2,1H3