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

Systemtic Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-[(phenylmethyl)sulfamoyl]benzoate Openeye Name: [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-(benzylsulfamoyl)benzoate CAS Name: 3-[(phenylmethyl)sulfamoyl]benzoic acid (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl ester IUPAC Name: (3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl 3-(benzylsulfamoyl)benzoate Traditional Name: 3-(benzylsulfamoyl)benzoic acid [3-(2-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C21H17N3O5S2 MolecularWeight: 455.50678

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4

Isomeric SMILES

C1=CC=C(C=C1)CNS(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CC=CS4

InChI

InChI=1S/C21H17N3O5S2/c25-21(28-14-19-23-20(24-29-19)18-10-5-11-30-18)16-8-4-9-17(12-16)31(26,27)22-13-15-6-2-1-3-7-15/h1-12,22H,13-14H2