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

Systemtic Name: [4-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)phenyl] benzenesulfonate Openeye Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] ester IUPAC Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)phenyl] ester Formula: C18H17N3O5S2 MolecularWeight: 419.47468

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O5S2/c1-12(22)19-18-20-21(13(2)23)17(27-18)14-8-10-15(11-9-14)26-28(24,25)16-6-4-3-5-7-16/h3-11,17H,1-2H3,(H,19,20,22)