3,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid

Systemtic Name: 3,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid Openeye Name: 3,4-dimethyl-5-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic acid CAS Name: 3,4-dimethyl-5-[(5-methyl-3-isoxazolyl)methylsulfonyl]benzoic acid IUPAC Name: 3,4-dimethyl-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid Traditional Name: 3,4-dimethyl-5-[(5-methylisoxazol-3-yl)methylsulfonyl]benzoic acid Formula: C14H15NO5S MolecularWeight: 309.3376

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)CS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O

Isomeric SMILES

CC1=CC(=NO1)CS(=O)(=O)C2=CC(=CC(=C2C)C)C(=O)O

InChI

InChI=1S/C14H15NO5S/c1-8-4-11(14(16)17)6-13(10(8)3)21(18,19)7-12-5-9(2)20-15-12/h4-6H,7H2,1-3H3,(H,16,17)