[4-[[2-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate

Systemtic Name: [4-[[2-(4-ethanoylpiperazin-1-yl)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate Openeye Name: [4-[[2-(4-acetylpiperazin-1-yl)-4-oxo-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-[[2-(4-acetyl-1-piperazinyl)-4-oxo-5-thiazolylidene]methyl]phenyl] ester IUPAC Name: [4-[[2-(4-acetylpiperazin-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-[[2-(4-acetylpiperazino)-4-keto-2-thiazolin-5-ylidene]methyl]phenyl] ester Formula: C22H21N3O5S2 MolecularWeight: 471.54924

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)N1CCN(CC1)C2=NC(=O)C(=CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)S2

Isomeric SMILES

CC(=O)N1CCN(CC1)C2=NC(=O)C(=CC3=CC=C(C=C3)OS(=O)(=O)C4=CC=CC=C4)S2

InChI

InChI=1S/C22H21N3O5S2/c1-16(26)24-11-13-25(14-12-24)22-23-21(27)20(31-22)15-17-7-9-18(10-8-17)30-32(28,29)19-5-3-2-4-6-19/h2-10,15H,11-14H2,1H3