[2-methoxy-5-[1-oxidanyl-2-(2-oxidanylidene-1H-imidazol-3-yl)ethyl]phenyl] 4-methylbenzenesulfonate

Systemtic Name: [2-methoxy-5-[1-oxidanyl-2-(2-oxidanylidene-1H-imidazol-3-yl)ethyl]phenyl] 4-methylbenzenesulfonate Openeye Name: [5-[1-hydroxy-2-(2-oxo-1H-imidazol-3-yl)ethyl]-2-methoxy-phenyl] 4-methylbenzenesulfonate CAS Name: 4-methylbenzenesulfonic acid [5-[1-hydroxy-2-(2-oxo-1H-imidazol-3-yl)ethyl]-2-methoxyphenyl] ester IUPAC Name: [5-[1-hydroxy-2-(2-oxo-1H-imidazol-3-yl)ethyl]-2-methoxyphenyl] 4-methylbenzenesulfonate Traditional Name: 4-methylbenzenesulfonic acid [5-[1-hydroxy-2-(2-keto-4-imidazolin-1-yl)ethyl]-2-methoxy-phenyl] ester Formula: C19H20N2O6S MolecularWeight: 404.4369

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C(CN3C=CNC3=O)O)OC

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)OC2=C(C=CC(=C2)C(CN3C=CNC3=O)O)OC

InChI

InChI=1S/C19H20N2O6S/c1-13-3-6-15(7-4-13)28(24,25)27-18-11-14(5-8-17(18)26-2)16(22)12-21-10-9-20-19(21)23/h3-11,16,22H,12H2,1-2H3,(H,20,23)