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

Systemtic Name: [2-[[2-(4-methylpiperazin-1-yl)-4-oxidanylidene-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate Openeye Name: [2-[[2-(4-methylpiperazin-1-yl)-4-oxo-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[[2-(4-methyl-1-piperazinyl)-4-oxo-5-thiazolylidene]methyl]phenyl] ester IUPAC Name: [2-[[2-(4-methylpiperazin-1-yl)-4-oxo-1,3-thiazol-5-ylidene]methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[[4-keto-2-(4-methylpiperazino)-2-thiazolin-5-ylidene]methyl]phenyl] ester Formula: C21H21N3O4S2 MolecularWeight: 443.53914

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=NC(=O)C(=CC3=CC=CC=C3OS(=O)(=O)C4=CC=CC=C4)S2

Isomeric SMILES

CN1CCN(CC1)C2=NC(=O)C(=CC3=CC=CC=C3OS(=O)(=O)C4=CC=CC=C4)S2

InChI

InChI=1S/C21H21N3O4S2/c1-23-11-13-24(14-12-23)21-22-20(25)19(29-21)15-16-7-5-6-10-18(16)28-30(26,27)17-8-3-2-4-9-17/h2-10,15H,11-14H2,1H3