[4-(4-ethanoylpiperazin-1-yl)phenyl] 2,5-bis(chloranyl)benzenesulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 2,5-bis(chloranyl)benzenesulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2,5-dichlorobenzenesulfonate CAS Name: 2,5-dichlorobenzenesulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 2,5-dichlorobenzenesulfonate Traditional Name: 2,5-dichlorobenzenesulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C18H18Cl2N2O4S MolecularWeight: 429.31752

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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=CC(=C3)Cl)Cl

Isomeric SMILES

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

InChI

InChI=1S/C18H18Cl2N2O4S/c1-13(23)21-8-10-22(11-9-21)15-3-5-16(6-4-15)26-27(24,25)18-12-14(19)2-7-17(18)20/h2-7,12H,8-11H2,1H3