3-(3-bromanyl-6-methylsulfonyl-2-propan-2-yl-phenyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 3-(3-bromanyl-6-methylsulfonyl-2-propan-2-yl-phenyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(3-bromo-2-isopropyl-6-methylsulfonyl-phenyl)-4,5-dihydroisoxazole CAS Name: 3-(3-bromo-6-methylsulfonyl-2-propan-2-ylphenyl)-4,5-dihydroisoxazole IUPAC Name: 3-(3-bromo-6-methylsulfonyl-2-propan-2-ylphenyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(3-bromo-2-isopropyl-6-mesyl-phenyl)-2-isoxazoline Formula: C13H16BrNO3S MolecularWeight: 346.24004

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)Br

Isomeric SMILES

CC(C)C1=C(C=CC(=C1C2=NOCC2)S(=O)(=O)C)Br

InChI

InChI=1S/C13H16BrNO3S/c1-8(2)12-9(14)4-5-11(19(3,16)17)13(12)10-6-7-18-15-10/h4-5,8H,6-7H2,1-3H3