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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1C(ON=C1Br)CN(C(=O)CN)S(=O)(=O)CC2=CC=CC=C2

Isomeric SMILES

C1C(ON=C1Br)CN(C(=O)CN)S(=O)(=O)CC2=CC=CC=C2

InChI

InChI=1S/C13H16BrN3O4S/c14-12-6-11(21-16-12)8-17(13(18)7-15)22(19,20)9-10-4-2-1-3-5-10/h1-5,11H,6-9,15H2