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

Systemtic Name: (3-thiophen-3-yl-1,2,4-oxadiazol-5-yl)methyl 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Openeye Name: [3-(3-thienyl)-1,2,4-oxadiazol-5-yl]methyl 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate CAS Name: 2-[(2,5-dimethylphenyl)sulfonylamino]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 2-[(2,5-dimethylphenyl)sulfonylamino]benzoate Traditional Name: 2-[(2,5-dimethylphenyl)sulfonylamino]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(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CSC=C4

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)NC2=CC=CC=C2C(=O)OCC3=NC(=NO3)C4=CSC=C4

InChI

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