[4-(4-ethanoylpiperazin-1-yl)phenyl] 5-chloranyl-1-methyl-imidazole-4-sulfonate

Systemtic Name: [4-(4-ethanoylpiperazin-1-yl)phenyl] 5-chloranyl-1-methyl-imidazole-4-sulfonate Openeye Name: [4-(4-acetylpiperazin-1-yl)phenyl] 5-chloro-1-methyl-imidazole-4-sulfonate CAS Name: 5-chloro-1-methyl-4-imidazolesulfonic acid [4-(4-acetyl-1-piperazinyl)phenyl] ester IUPAC Name: [4-(4-acetylpiperazin-1-yl)phenyl] 5-chloro-1-methylimidazole-4-sulfonate Traditional Name: 5-chloro-1-methyl-imidazole-4-sulfonic acid [4-(4-acetylpiperazino)phenyl] ester Formula: C16H19ClN4O4S MolecularWeight: 398.86446

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(N(C=N3)C)Cl

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=CC=C(C=C2)OS(=O)(=O)C3=C(N(C=N3)C)Cl

InChI

InChI=1S/C16H19ClN4O4S/c1-12(22)20-7-9-21(10-8-20)13-3-5-14(6-4-13)25-26(23,24)16-15(17)19(2)11-18-16/h3-6,11H,7-10H2,1-2H3