[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-sulfamoylphenyl)propanoate

Systemtic Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-sulfamoylphenyl)propanoate Openeye Name: [3-(4-isopropylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-sulfamoylphenyl)propanoate CAS Name: 3-(4-sulfamoylphenyl)propanoic acid [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]methyl 3-(4-sulfamoylphenyl)propanoate Traditional Name: 3-(4-sulfamoylphenyl)propionic acid (3-p-cumenyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C21H23N3O5S MolecularWeight: 429.48942

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

Isomeric SMILES

CC(C)C1=CC=C(C=C1)C2=NOC(=N2)COC(=O)CCC3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C21H23N3O5S/c1-14(2)16-6-8-17(9-7-16)21-23-19(29-24-21)13-28-20(25)12-5-15-3-10-18(11-4-15)30(22,26)27/h3-4,6-11,14H,5,12-13H2,1-2H3,(H2,22,26,27)