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

Systemtic Name: [4-(5-acetamido-3-ethanoyl-2H-1,3,4-thiadiazol-2-yl)-2-bromanyl-phenyl] benzenesulfonate Openeye Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-bromo-phenyl] benzenesulfonate CAS Name: benzenesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-bromophenyl] ester IUPAC Name: [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-bromophenyl] benzenesulfonate Traditional Name: benzenesulfonic acid [4-(5-acetamido-3-acetyl-2H-1,3,4-thiadiazol-2-yl)-2-bromo-phenyl] ester Formula: C18H16BrN3O5S2 MolecularWeight: 498.37074

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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)Br)C(=O)C

Isomeric SMILES

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

InChI

InChI=1S/C18H16BrN3O5S2/c1-11(23)20-18-21-22(12(2)24)17(28-18)13-8-9-16(15(19)10-13)27-29(25,26)14-6-4-3-5-7-14/h3-10,17H,1-2H3,(H,20,21,23)