(3-methyl-5-oxidanyl-phenyl) 2-(2-ethanoylpiperazin-1-yl)sulfonylbenzenesulfonate

Systemtic Name: (3-methyl-5-oxidanyl-phenyl) 2-(2-ethanoylpiperazin-1-yl)sulfonylbenzenesulfonate Openeye Name: (3-hydroxy-5-methyl-phenyl) 2-(2-acetylpiperazin-1-yl)sulfonylbenzenesulfonate CAS Name: 2-[(2-acetyl-1-piperazinyl)sulfonyl]benzenesulfonic acid (3-hydroxy-5-methylphenyl) ester IUPAC Name: (3-hydroxy-5-methylphenyl) 2-(2-acetylpiperazin-1-yl)sulfonylbenzenesulfonate Traditional Name: 2-(2-acetylpiperazino)sulfonylbenzenesulfonic acid (3-hydroxy-5-methyl-phenyl) ester Formula: C19H22N2O7S2 MolecularWeight: 454.51718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCNCC3C(=O)C)O

Isomeric SMILES

CC1=CC(=CC(=C1)OS(=O)(=O)C2=CC=CC=C2S(=O)(=O)N3CCNCC3C(=O)C)O

InChI

InChI=1S/C19H22N2O7S2/c1-13-9-15(23)11-16(10-13)28-30(26,27)19-6-4-3-5-18(19)29(24,25)21-8-7-20-12-17(21)14(2)22/h3-6,9-11,17,20,23H,7-8,12H2,1-2H3