[2-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-4-methoxy-phenyl] benzenesulfonate

Systemtic Name: [2-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-4-methoxy-phenyl] benzenesulfonate Openeye Name: [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methoxy-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methoxyphenyl] ester IUPAC Name: [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methoxyphenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [2-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-4-methoxy-phenyl] ester Formula: C19H19N3O6S2 MolecularWeight: 449.50066

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=NN(C(S1)C2=C(C=CC(=C2)OC)OS(=O)(=O)C3=CC=CC=C3)C(=O)C

Isomeric SMILES

CC(=O)NC1=NN(C(S1)C2=C(C=CC(=C2)OC)OS(=O)(=O)C3=CC=CC=C3)C(=O)C

InChI

InChI=1S/C19H19N3O6S2/c1-12(23)20-19-21-22(13(2)24)18(29-19)16-11-14(27-3)9-10-17(16)28-30(25,26)15-7-5-4-6-8-15/h4-11,18H,1-3H3,(H,20,21,23)