4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)azanidylsulfonyl]-2-oxidanyl-benzoate

Systemtic Name: 4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)azanidylsulfonyl]-2-oxidanyl-benzoate Openeye Name: 2-hydroxy-4-methyl-5-(5-methylisoxazol-3-yl)azanidylsulfonyl-benzoate CAS Name: 2-hydroxy-4-methyl-5-[(5-methyl-3-isoxazolyl)azanidylsulfonyl]benzoate IUPAC Name: 2-hydroxy-4-methyl-5-[(5-methyl-1,2-oxazol-3-yl)azanidylsulfonyl]benzoate Traditional Name: 2-hydroxy-4-methyl-5-(5-methylisoxazol-3-yl)azanidylsulfonyl-benzoate Formula: C12H10N2O6S-2 MolecularWeight: 310.2826

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)[N-]S(=O)(=O)C2=C(C=C(C(=C2)C(=O)[O-])O)C

Isomeric SMILES

CC1=CC(=NO1)[N-]S(=O)(=O)C2=C(C=C(C(=C2)C(=O)[O-])O)C

InChI

InChI=1S/C12H12N2O6S/c1-6-3-9(15)8(12(16)17)5-10(6)21(18,19)14-11-4-7(2)20-13-11/h3-5H,1-2H3,(H3,13,14,15,16,17)/p-2