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

Systemtic Name: [2-[(4-oxidanylidene-2-piperidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] benzenesulfonate Openeye Name: [2-[[4-oxo-2-(1-piperidyl)thiazol-5-ylidene]methyl]phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-[[4-oxo-2-(1-piperidinyl)-5-thiazolylidene]methyl]phenyl] ester IUPAC Name: [2-[(4-oxo-2-piperidin-1-yl-1,3-thiazol-5-ylidene)methyl]phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-[(4-keto-2-piperidino-2-thiazolin-5-ylidene)methyl]phenyl] ester Formula: C21H20N2O4S2 MolecularWeight: 428.5245

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NC(=O)C(=CC3=CC=CC=C3OS(=O)(=O)C4=CC=CC=C4)S2

Isomeric SMILES

C1CCN(CC1)C2=NC(=O)C(=CC3=CC=CC=C3OS(=O)(=O)C4=CC=CC=C4)S2

InChI

InChI=1S/C21H20N2O4S2/c24-20-19(28-21(22-20)23-13-7-2-8-14-23)15-16-9-5-6-12-18(16)27-29(25,26)17-10-3-1-4-11-17/h1,3-6,9-12,15H,2,7-8,13-14H2