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

Systemtic Name: 3-(3-bromanyl-6-hexylsulfonyl-2-methyl-phenyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(3-bromo-6-hexylsulfonyl-2-methyl-phenyl)-4,5-dihydroisoxazole CAS Name: 3-(3-bromo-6-hexylsulfonyl-2-methylphenyl)-4,5-dihydroisoxazole IUPAC Name: 3-(3-bromo-6-hexylsulfonyl-2-methylphenyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(3-bromo-6-hexylsulfonyl-2-methyl-phenyl)-2-isoxazoline Formula: C16H22BrNO3S MolecularWeight: 388.31978

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H22BrNO3S/c1-3-4-5-6-11-22(19,20)15-8-7-13(17)12(2)16(15)14-9-10-21-18-14/h7-8H,3-6,9-11H2,1-2H3