3-(3-bromanyl-6-butylsulfonyl-2-methyl-phenyl)-4,5-dihydro-1,2-oxazole

Systemtic Name: 3-(3-bromanyl-6-butylsulfonyl-2-methyl-phenyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(3-bromo-6-butylsulfonyl-2-methyl-phenyl)-4,5-dihydroisoxazole CAS Name: 3-(3-bromo-6-butylsulfonyl-2-methylphenyl)-4,5-dihydroisoxazole IUPAC Name: 3-(3-bromo-6-butylsulfonyl-2-methylphenyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(3-bromo-6-butylsulfonyl-2-methyl-phenyl)-2-isoxazoline Formula: C14H18BrNO3S MolecularWeight: 360.26662

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Descriptors Computed from Structure

Canonical SMILES:

CCCCS(=O)(=O)C1=C(C(=C(C=C1)Br)C)C2=NOCC2

Isomeric SMILES

CCCCS(=O)(=O)C1=C(C(=C(C=C1)Br)C)C2=NOCC2

InChI

InChI=1S/C14H18BrNO3S/c1-3-4-9-20(17,18)13-6-5-11(15)10(2)14(13)12-7-8-19-16-12/h5-6H,3-4,7-9H2,1-2H3