5-[(2,5-dimethylphenyl)methylsulfonylmethyl]-3-methyl-1,2-oxazole

Systemtic Name: 5-[(2,5-dimethylphenyl)methylsulfonylmethyl]-3-methyl-1,2-oxazole Openeye Name: 5-[(2,5-dimethylphenyl)methylsulfonylmethyl]-3-methyl-isoxazole CAS Name: 5-[(2,5-dimethylphenyl)methylsulfonylmethyl]-3-methylisoxazole IUPAC Name: 5-[(2,5-dimethylphenyl)methylsulfonylmethyl]-3-methyl-1,2-oxazole Traditional Name: 5-[(2,5-dimethylbenzyl)sulfonylmethyl]-3-methyl-isoxazole Formula: C14H17NO3S MolecularWeight: 279.35468

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CS(=O)(=O)CC2=CC(=NO2)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)CS(=O)(=O)CC2=CC(=NO2)C

InChI

InChI=1S/C14H17NO3S/c1-10-4-5-11(2)13(6-10)8-19(16,17)9-14-7-12(3)15-18-14/h4-7H,8-9H2,1-3H3