3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole

Systemtic Name: 3-[(6-bromanyl-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole Openeye Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonylmethyl]-5-methyl-isoxazole CAS Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonylmethyl]-5-methylisoxazole IUPAC Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonylmethyl]-5-methyl-1,2-oxazole Traditional Name: 3-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methylsulfonylmethyl]-5-methyl-isoxazole Formula: C14H14BrNO5S MolecularWeight: 388.23366

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CS(=O)(=O)CC2=CC3=C(C=C2Br)OCCO3

Isomeric SMILES

CC1=CC(=NO1)CS(=O)(=O)CC2=CC3=C(C=C2Br)OCCO3

InChI

InChI=1S/C14H14BrNO5S/c1-9-4-11(16-21-9)8-22(17,18)7-10-5-13-14(6-12(10)15)20-3-2-19-13/h4-6H,2-3,7-8H2,1H3