5-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-2-oxidanyl-benzoate

Systemtic Name: 5-[4-(4-ethanoylphenyl)piperazin-1-yl]sulfonyl-2-oxidanyl-benzoate Openeye Name: 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-2-hydroxy-benzoate CAS Name: 5-[[4-(4-acetylphenyl)-1-piperazinyl]sulfonyl]-2-hydroxybenzoate IUPAC Name: 5-[4-(4-acetylphenyl)piperazin-1-yl]sulfonyl-2-hydroxybenzoate Traditional Name: 5-[4-(4-acetylphenyl)piperazino]sulfonyl-2-hydroxy-benzoate Formula: C19H19N2O6S- MolecularWeight: 403.42896

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)[O-]

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)N2CCN(CC2)S(=O)(=O)C3=CC(=C(C=C3)O)C(=O)[O-]

InChI

InChI=1S/C19H20N2O6S/c1-13(22)14-2-4-15(5-3-14)20-8-10-21(11-9-20)28(26,27)16-6-7-18(23)17(12-16)19(24)25/h2-7,12,23H,8-11H2,1H3,(H,24,25)/p-1