2-azanyl-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(4-methylphenyl)sulfonyl-ethanamide

Systemtic Name: 2-azanyl-N-[(3-bromanyl-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(4-methylphenyl)sulfonyl-ethanamide Openeye Name: 2-amino-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]-N-(p-tolylsulfonyl)acetamide CAS Name: 2-amino-N-[(3-bromo-4,5-dihydroisoxazol-5-yl)methyl]-N-(4-methylphenyl)sulfonylacetamide IUPAC Name: 2-amino-N-[(3-bromo-4,5-dihydro-1,2-oxazol-5-yl)methyl]-N-(4-methylphenyl)sulfonylacetamide Traditional Name: 2-amino-N-[(3-bromo-2-isoxazolin-5-yl)methyl]-N-tosyl-acetamide Formula: C13H16BrN3O4S MolecularWeight: 390.25284

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N(CC2CC(=NO2)Br)C(=O)CN

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N(CC2CC(=NO2)Br)C(=O)CN

InChI

InChI=1S/C13H16BrN3O4S/c1-9-2-4-11(5-3-9)22(19,20)17(13(18)7-15)8-10-6-12(14)16-21-10/h2-5,10H,6-8,15H2,1H3