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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-[ethyl(phenyl)sulfamoyl]benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 3-[ethyl(phenyl)sulfamoyl]benzoate CAS Name: 3-[ethyl(phenyl)sulfamoyl]benzoic acid [3-(3-thiophenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 3-[ethyl(phenyl)sulfamoyl]benzoate Traditional Name: 3-[ethyl(phenyl)sulfamoyl]benzoic acid [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl ester Formula: C22H19N3O5S2 MolecularWeight: 469.53336

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Descriptors Computed from Structure

Canonical SMILES:

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CCN(C1=CC=CC=C1)S(=O)(=O)C2=CC=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

InChI=1S/C22H19N3O5S2/c1-2-25(18-8-4-3-5-9-18)32(27,28)19-10-6-7-16(13-19)22(26)29-14-20-23-21(24-30-20)17-11-12-31-15-17/h3-13,15H,2,14H2,1H3