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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-(m-tolylsulfamoyl)benzoate CAS Name: 4-methyl-3-[(3-methylphenyl)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 4-methyl-3-[(3-methylphenyl)sulfamoyl]benzoate Traditional Name: 4-methyl-3-(m-tolylsulfamoyl)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:

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4)C

Isomeric SMILES

CC1=CC(=CC=C1)NS(=O)(=O)C2=C(C=CC(=C2)C(=O)OCC3=NC(=NO3)C4=CSC=C4)C

InChI

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