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

Systemtic Name: 3-(3-bromanyl-2-methyl-6-methylsulfonyl-phenyl)-5-(4-chloranylbutyl)-4,5-dihydro-1,2-oxazole Openeye Name: 3-(3-bromo-2-methyl-6-methylsulfonyl-phenyl)-5-(4-chlorobutyl)-4,5-dihydroisoxazole CAS Name: 3-(3-bromo-2-methyl-6-methylsulfonylphenyl)-5-(4-chlorobutyl)-4,5-dihydroisoxazole IUPAC Name: 3-(3-bromo-2-methyl-6-methylsulfonylphenyl)-5-(4-chlorobutyl)-4,5-dihydro-1,2-oxazole Traditional Name: 3-(3-bromo-6-mesyl-2-methyl-phenyl)-5-(4-chlorobutyl)-2-isoxazoline Formula: C15H19BrClNO3S MolecularWeight: 408.73826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1C2=NOC(C2)CCCCCl)S(=O)(=O)C)Br

Isomeric SMILES

CC1=C(C=CC(=C1C2=NOC(C2)CCCCCl)S(=O)(=O)C)Br

InChI

InChI=1S/C15H19BrClNO3S/c1-10-12(16)6-7-14(22(2,19)20)15(10)13-9-11(21-18-13)5-3-4-8-17/h6-7,11H,3-5,8-9H2,1-2H3