[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate

Systemtic Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-morpholin-4-ylsulfonyl-benzoate Openeye Name: (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl 4-methyl-3-morpholinosulfonyl-benzoate CAS Name: 4-methyl-3-(4-morpholinylsulfonyl)benzoic acid [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl ester IUPAC Name: [3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]methyl 4-methyl-3-morpholin-4-ylsulfonylbenzoate Traditional Name: 4-methyl-3-morpholinosulfonyl-benzoic acid (3-isobutyl-1,2,4-oxadiazol-5-yl)methyl ester Formula: C19H25N3O6S MolecularWeight: 423.4833

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)CC(C)C)S(=O)(=O)N3CCOCC3

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC2=NC(=NO2)CC(C)C)S(=O)(=O)N3CCOCC3

InChI

InChI=1S/C19H25N3O6S/c1-13(2)10-17-20-18(28-21-17)12-27-19(23)15-5-4-14(3)16(11-15)29(24,25)22-6-8-26-9-7-22/h4-5,11,13H,6-10,12H2,1-3H3