4-methylsulfonyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)benzoic acid

Systemtic Name: 4-methylsulfonyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)benzoic acid Openeye Name: 3-(3-isopropylisoxazol-5-yl)-4-methylsulfonyl-benzoic acid CAS Name: 4-methylsulfonyl-3-(3-propan-2-yl-5-isoxazolyl)benzoic acid IUPAC Name: 4-methylsulfonyl-3-(3-propan-2-yl-1,2-oxazol-5-yl)benzoic acid Traditional Name: 3-(3-isopropylisoxazol-5-yl)-4-mesyl-benzoic acid Formula: C14H15NO5S MolecularWeight: 309.3376

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NOC(=C1)C2=C(C=CC(=C2)C(=O)O)S(=O)(=O)C

Isomeric SMILES

CC(C)C1=NOC(=C1)C2=C(C=CC(=C2)C(=O)O)S(=O)(=O)C

InChI

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