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

Systemtic Name: 4-[(3-methyl-1,2-oxazol-5-yl)azanidylsulfonyl]benzoate Openeye Name: 4-(3-methylisoxazol-5-yl)azanidylsulfonylbenzoate CAS Name: 4-[(3-methyl-5-isoxazolyl)azanidylsulfonyl]benzoate IUPAC Name: 4-[(3-methyl-1,2-oxazol-5-yl)azanidylsulfonyl]benzoate Traditional Name: 4-(3-methylisoxazol-5-yl)azanidylsulfonylbenzoate Formula: C11H8N2O5S-2 MolecularWeight: 280.25662

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

Isomeric SMILES

CC1=NOC(=C1)[N-]S(=O)(=O)C2=CC=C(C=C2)C(=O)[O-]

InChI

InChI=1S/C11H10N2O5S/c1-7-6-10(18-12-7)13-19(16,17)9-4-2-8(3-5-9)11(14)15/h2-6H,1H3,(H2,12,13,14,15)/p-2