(5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-bromophenyl)sulfonylamino]benzoate

Systemtic Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-bromophenyl)sulfonylamino]benzoate Openeye Name: [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl 3-[(4-bromophenyl)sulfonylamino]benzoate CAS Name: 3-[(4-bromophenyl)sulfonylamino]benzoic acid (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,3,4-oxadiazol-2-yl)methyl 3-[(4-bromophenyl)sulfonylamino]benzoate Traditional Name: 3-(brosylamino)benzoic acid [5-(2-thienyl)-1,3,4-oxadiazol-2-yl]methyl ester Formula: C20H14BrN3O5S2 MolecularWeight: 520.37626

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OCC3=NN=C(O3)C4=CC=CS4

Isomeric SMILES

C1=CC(=CC(=C1)NS(=O)(=O)C2=CC=C(C=C2)Br)C(=O)OCC3=NN=C(O3)C4=CC=CS4

InChI

InChI=1S/C20H14BrN3O5S2/c21-14-6-8-16(9-7-14)31(26,27)24-15-4-1-3-13(11-15)20(25)28-12-18-22-23-19(29-18)17-5-2-10-30-17/h1-11,24H,12H2